3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one

C170H229N39O17S3 — CID 157237857

IUPAC3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(c2cc[nH]c2)C1=O.CNC1CC2CC2CN(c2ccc[nH]2)C1=O.CNC1CC2CC2CN(c2ccccc2)C1=O.CNC1CC2CC2CN(c2ccccn2)C1=O.CNC1CC2CC2CN(c2cccnc2)C1=O.CNC1CC2CC2CN(c2cccnn2)C1=O.CNC1CC2CC2CN(c2ccco2)C1=O.CNC1CC2CC2CN(c2cccs2)C1=O.CNC1CC2CC2CN(c2ccncc2)C1=O.CNC1CC2CC2CN(c2ccoc2)C1=O.CNC1CC2CC2CN(c2ccsc2)C1=O.CNC1CC2CC2CN(c2cnc[nH]2)C1=O.CNC1CC2CC2CN(c2ncco2)C1=O.CNC1CC2CC2CN(c2nccs2)C1=O
InChIInChI=1S/C14H18N2O.3C13H17N3O.C12H16N4O.2C12H17N3O.2C12H16N2O2.2C12H16N2OS.C11H16N4O.C11H15N3O2.C11H15N3OS/c1-15-13-8-10-7-11(10)9-16(14(13)17)12-5-3-2-4-6-12;1-14-12-7-9-6-10(9)8-16(13(12)17)11-2-4-15-5-3-11;1-14-12-6-9-5-10(9)8-16(13(12)17)11-3-2-4-15-7-11;1-14-11-7-9-6-10(9)8-16(13(11)17)12-4-2-3-5-15-12;1-13-10-6-8-5-9(8)7-16(12(10)17)11-3-2-4-14-15-11;1-13-11-5-8-4-9(8)7-15(12(11)16)10-2-3-14-6-10;1-13-10-6-8-5-9(8)7-15(12(10)16)11-3-2-4-14-11;1-13-11-5-8-4-9(8)6-14(12(11)15)10-2-3-16-7-10;1-13-10-6-8-5-9(8)7-14(12(10)15)11-3-2-4-16-11;1-13-11-5-8-4-9(8)6-14(12(11)15)10-2-3-16-7-10;1-13-10-6-8-5-9(8)7-14(12(10)15)11-3-2-4-16-11;1-12-9-3-7-2-8(7)5-15(11(9)16)10-4-13-6-14-10;2*1-12-9-5-7-4-8(7)6-14(10(9)15)11-13-2-3-16-11/h2-6,10-11,13,15H,7-9H2,1H3;2-5,9-10,12,14H,6-8H2,1H3;2-4,7,9-10,12,14H,5-6,8H2,1H3;2-5,9-11,14H,6-8H2,1H3;2-4,8-10,13H,5-7H2,1H3;2-3,6,8-9,11,13-14H,4-5,7H2,1H3;2-4,8-10,13-14H,5-7H2,1H3;2-3,7-9,11,13H,4-6H2,1H3;2-4,8-10,13H,5-7H2,1H3;2-3,7-9,11,13H,4-6H2,1H3;2-4,8-10,13H,5-7H2,1H3;4,6-9,12H,2-3,5H2,1H3,(H,13,14);2*2-3,7-9,12H,4-6H2,1H3
InChIKeyAUVRQXNUQQZRQC-UHFFFAOYSA-N
MW3187.16 g/mol
LogP15.17
Rot. Bonds28

About 3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one

3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 157237857) has the molecular formula C170H229N39O17S3 and a molecular weight of 3187.16 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one
PubChem CID157237857
Molecular FormulaC170H229N39O17S3
Molecular Weight3187.16 g/mol
Exact Mass3184.74
IUPAC Name3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(c2cc[nH]c2)C1=O.CNC1CC2CC2CN(c2ccc[nH]2)C1=O.CNC1CC2CC2CN(c2ccccc2)C1=O.CNC1CC2CC2CN(c2ccccn2)C1=O.CNC1CC2CC2CN(c2cccnc2)C1=O.CNC1CC2CC2CN(c2cccnn2)C1=O.CNC1CC2CC2CN(c2ccco2)C1=O.CNC1CC2CC2CN(c2cccs2)C1=O.CNC1CC2CC2CN(c2ccncc2)C1=O.CNC1CC2CC2CN(c2ccoc2)C1=O.CNC1CC2CC2CN(c2ccsc2)C1=O.CNC1CC2CC2CN(c2cnc[nH]2)C1=O.CNC1CC2CC2CN(c2ncco2)C1=O.CNC1CC2CC2CN(c2nccs2)C1=O
InChIInChI=1S/C14H18N2O.3C13H17N3O.C12H16N4O.2C12H17N3O.2C12H16N2O2.2C12H16N2OS.C11H16N4O.C11H15N3O2.C11H15N3OS/c1-15-13-8-10-7-11(10)9-16(14(13)17)12-5-3-2-4-6-12;1-14-12-7-9-6-10(9)8-16(13(12)17)11-2-4-15-5-3-11;1-14-12-6-9-5-10(9)8-16(13(12)17)11-3-2-4-15-7-11;1-14-11-7-9-6-10(9)8-16(13(11)17)12-4-2-3-5-15-12;1-13-10-6-8-5-9(8)7-16(12(10)17)11-3-2-4-14-15-11;1-13-11-5-8-4-9(8)7-15(12(11)16)10-2-3-14-6-10;1-13-10-6-8-5-9(8)7-15(12(10)16)11-3-2-4-14-11;1-13-11-5-8-4-9(8)6-14(12(11)15)10-2-3-16-7-10;1-13-10-6-8-5-9(8)7-14(12(10)15)11-3-2-4-16-11;1-13-11-5-8-4-9(8)6-14(12(11)15)10-2-3-16-7-10;1-13-10-6-8-5-9(8)7-14(12(10)15)11-3-2-4-16-11;1-12-9-3-7-2-8(7)5-15(11(9)16)10-4-13-6-14-10;2*1-12-9-5-7-4-8(7)6-14(10(9)15)11-13-2-3-16-11/h2-6,10-11,13,15H,7-9H2,1H3;2-5,9-10,12,14H,6-8H2,1H3;2-4,7,9-10,12,14H,5-6,8H2,1H3;2-5,9-11,14H,6-8H2,1H3;2-4,8-10,13H,5-7H2,1H3;2-3,6,8-9,11,13-14H,4-5,7H2,1H3;2-4,8-10,13-14H,5-7H2,1H3;2-3,7-9,11,13H,4-6H2,1H3;2-4,8-10,13H,5-7H2,1H3;2-3,7-9,11,13H,4-6H2,1H3;2-4,8-10,13H,5-7H2,1H3;4,6-9,12H,2-3,5H2,1H3,(H,13,14);2*2-3,7-9,12H,4-6H2,1H3
InChIKeyAUVRQXNUQQZRQC-UHFFFAOYSA-N
XLogP15.17
TPSA642.67 Ų
H-Bond Donors17
H-Bond Acceptors42
Rotatable Bonds28
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003187.16
LogP ≤ 515.17
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1042

Analyze 3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157066236
4-benzyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
CID 157092065
1-benzyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157102267
CID 157120267
CID 157120267
CID 157140927
CID 157140927
CID 157184171
CID 157184171
6-(furan-2-yl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-oxazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridazin-3-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-3-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-pyridin-4-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1H-pyrrol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(1,3-thiazol-2-yl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-thiophen-2-yl-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 157193890
bis(6H-cyclopenta[c]pyridazine);5H-cyclopenta[d]pyrimidine;furo[2,3-d]pyridazine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;methane;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-a][1,3,5]triazine;pyrrolo[1,2-b]pyridazine;pyrrolo[1,2-b][1,2,4]triazine;pyrrolo[1,2-c]pyrimidine;pyrrolo[2,1-c][1,2,4]triazine;1H-pyrrolo[2,3-d]pyridazine;7H-pyrrolo[2,3-d]pyrimidine;pyrrolo[1,2-d][1,2,4]triazine;thieno[2,3-d]pyridazine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;triazolo[1,5-a]pyridine
CID 157240148
CID 157244441
CID 157244441
1-benzyl-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-3-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 157262077
1-(furan-2-yl)-3-(methylamino)azepan-2-one;1-(furan-3-yl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;3-(methylamino)-1-phenylazepan-2-one;3-(methylamino)-1-pyridazin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-2-ylazepan-2-one;3-(methylamino)-1-pyridin-3-ylazepan-2-one;3-(methylamino)-1-pyridin-4-ylazepan-2-one;3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-1-thiophen-2-ylazepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157319887
7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 157349429

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one (CID 157237857) is 3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(c2cc[nH]c2)C1=O.CNC1CC2CC2CN(c2ccc[nH]2)C1=O.CNC1CC2CC2CN(c2ccccc2)C1=O.CNC1CC2CC2CN(c2ccccn2)C1=O.CNC1CC2CC2CN(c2cccnc2)C1=O.CNC1CC2CC2CN(c2cccnn2)C1=O.CNC1CC2CC2CN(c2ccco2)C1=O.CNC1CC2CC2CN(c2cccs2)C1=O.CNC1CC2CC2CN(c2ccncc2)C1=O.CNC1CC2CC2CN(c2ccoc2)C1=O.CNC1CC2CC2CN(c2ccsc2)C1=O.CNC1CC2CC2CN(c2cnc[nH]2)C1=O.CNC1CC2CC2CN(c2ncco2)C1=O.CNC1CC2CC2CN(c2nccs2)C1=O.
What is the InChIKey of 3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is AUVRQXNUQQZRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.3C13H17N3O.C12H16N4O.2C12H17N3O.2C12H16N2O2.2C12H16N2OS.C11H16N4O.C11H15N3O2.C11H15N3OS/c1-15-13-8-10-7-11(10)9-16(14(13)17)12-5-3-2-4-6-12;1-14-12-7-9-6-10(9)8-16(13(12)17)11-2-4-15-5-3-11;1-14-12-6-9-5-10(9)8-16(13(12)17)11-3-2-4-15-7-11;1-14-11-7-9-6-10(9)8-16(13(11)17)12-4-2-3-5-15-12;1-13-10-6-8-5-9(8)7-16(12(10)17)11-3-2-4-14-15-11;1-13-11-5-8-4-9(8)7-15(12(11)16)10-2-3-14-6-10;1-13-10-6-8-5-9(8)7-15(12(10)16)11-3-2-4-14-11;1-13-11-5-8-4-9(8)6-14(12(11)15)10-2-3-16-7-10;1-13-10-6-8-5-9(8)7-14(12(10)15)11-3-2-4-16-11;1-13-11-5-8-4-9(8)6-14(12(11)15)10-2-3-16-7-10;1-13-10-6-8-5-9(8)7-14(12(10)15)11-3-2-4-16-11;1-12-9-3-7-2-8(7)5-15(11(9)16)10-4-13-6-14-10;2*1-12-9-5-7-4-8(7)6-14(10(9)15)11-13-2-3-16-11/h2-6,10-11,13,15H,7-9H2,1H3;2-5,9-10,12,14H,6-8H2,1H3;2-4,7,9-10,12,14H,5-6,8H2,1H3;2-5,9-11,14H,6-8H2,1H3;2-4,8-10,13H,5-7H2,1H3;2-3,6,8-9,11,13-14H,4-5,7H2,1H3;2-4,8-10,13-14H,5-7H2,1H3;2-3,7-9,11,13H,4-6H2,1H3;2-4,8-10,13H,5-7H2,1H3;2-3,7-9,11,13H,4-6H2,1H3;2-4,8-10,13H,5-7H2,1H3;4,6-9,12H,2-3,5H2,1H3,(H,13,14);2*2-3,7-9,12H,4-6H2,1H3.
What are the key properties of 3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one?
3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 3187.16 g/mol, XLogP of 15.17, 28 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(furan-3-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-5-yl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-phenyl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridazin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-3-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-pyridin-4-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1H-pyrrol-3-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-yl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-2-yl-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-thiophen-3-yl-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 157237857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).