3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one

C152H221N37O17S4 — CID 157096243

IUPAC3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2=CC(C)(C)C=C2)C1=O.CNC1CC2CC2CN(CC2=CC=CC2(C)C)C1=O.CNC1CC2CC2CN(Cc2ccno2)C1=O.CNC1CC2CC2CN(Cc2cnc(C)o2)C1=O.CNC1CC2CC2CN(Cc2cnc(C)s2)C1=O.CNC1CC2CC2CN(Cc2cnco2)C1=O.CNC1CC2CC2CN(Cc2cncs2)C1=O.CNC1CC2CC2CN(Cc2ncc[nH]2)C1=O.CNC1CC2CC2CN(Cc2ncco2)C1=O.CNC1CC2CC2CN(Cc2nccs2)C1=O.CNC1CC2CC2CN(Cc2nnco2)C1=O.CNC1CC2CC2CN(Cc2nncs2)C1=O
InChIInChI=1S/2C16H24N2O.C13H19N3O2.C13H19N3OS.C12H18N4O.3C12H17N3O2.2C12H17N3OS.C11H16N4O2.C11H16N4OS/c1-16(2)5-4-11(8-16)9-18-10-13-6-12(13)7-14(17-3)15(18)19;1-16(2)6-4-5-13(16)10-18-9-12-7-11(12)8-14(17-3)15(18)19;2*1-8-15-5-11(18-8)7-16-6-10-3-9(10)4-12(14-2)13(16)17;1-13-10-5-8-4-9(8)6-16(12(10)17)7-11-14-2-3-15-11;1-13-11-3-8-2-9(8)5-15(12(11)16)6-10-4-14-7-17-10;1-13-10-5-8-4-9(8)6-15(12(10)16)7-11-14-2-3-17-11;1-13-11-5-8-4-9(8)6-15(12(11)16)7-10-2-3-14-17-10;1-13-11-3-8-2-9(8)5-15(12(11)16)6-10-4-14-7-17-10;1-13-10-5-8-4-9(8)6-15(12(10)16)7-11-14-2-3-17-11;2*1-12-9-3-7-2-8(7)4-15(11(9)16)5-10-14-13-6-17-10/h4-5,8,12-14,17H,6-7,9-10H2,1-3H3;4-6,11-12,14,17H,7-10H2,1-3H3;2*5,9-10,12,14H,3-4,6-7H2,1-2H3;2-3,8-10,13H,4-7H2,1H3,(H,14,15);4,7-9,11,13H,2-3,5-6H2,1H3;2-3,8-10,13H,4-7H2,1H3;2-3,8-9,11,13H,4-7H2,1H3;4,7-9,11,13H,2-3,5-6H2,1H3;2-3,8-10,13H,4-7H2,1H3;2*6-9,12H,2-5H2,1H3
InChIKeyAFFWUIDGOBZWTP-UHFFFAOYSA-N
MW2966.95 g/mol
LogP11.26
Rot. Bonds36

About 3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one

3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one (PubChem CID 157096243) has the molecular formula C152H221N37O17S4 and a molecular weight of 2966.95 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
PubChem CID157096243
Molecular FormulaC152H221N37O17S4
Molecular Weight2966.95 g/mol
Exact Mass2964.64
IUPAC Name3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
SMILESCNC1CC2CC2CN(CC2=CC(C)(C)C=C2)C1=O.CNC1CC2CC2CN(CC2=CC=CC2(C)C)C1=O.CNC1CC2CC2CN(Cc2ccno2)C1=O.CNC1CC2CC2CN(Cc2cnc(C)o2)C1=O.CNC1CC2CC2CN(Cc2cnc(C)s2)C1=O.CNC1CC2CC2CN(Cc2cnco2)C1=O.CNC1CC2CC2CN(Cc2cncs2)C1=O.CNC1CC2CC2CN(Cc2ncc[nH]2)C1=O.CNC1CC2CC2CN(Cc2ncco2)C1=O.CNC1CC2CC2CN(Cc2nccs2)C1=O.CNC1CC2CC2CN(Cc2nnco2)C1=O.CNC1CC2CC2CN(Cc2nncs2)C1=O
InChIInChI=1S/2C16H24N2O.C13H19N3O2.C13H19N3OS.C12H18N4O.3C12H17N3O2.2C12H17N3OS.C11H16N4O2.C11H16N4OS/c1-16(2)5-4-11(8-16)9-18-10-13-6-12(13)7-14(17-3)15(18)19;1-16(2)6-4-5-13(16)10-18-9-12-7-11(12)8-14(17-3)15(18)19;2*1-8-15-5-11(18-8)7-16-6-10-3-9(10)4-12(14-2)13(16)17;1-13-10-5-8-4-9(8)6-16(12(10)17)7-11-14-2-3-15-11;1-13-11-3-8-2-9(8)5-15(12(11)16)6-10-4-14-7-17-10;1-13-10-5-8-4-9(8)6-15(12(10)16)7-11-14-2-3-17-11;1-13-11-5-8-4-9(8)6-15(12(11)16)7-10-2-3-14-17-10;1-13-11-3-8-2-9(8)5-15(12(11)16)6-10-4-14-7-17-10;1-13-10-5-8-4-9(8)6-15(12(10)16)7-11-14-2-3-17-11;2*1-12-9-3-7-2-8(7)4-15(11(9)16)5-10-14-13-6-17-10/h4-5,8,12-14,17H,6-7,9-10H2,1-3H3;4-6,11-12,14,17H,7-10H2,1-3H3;2*5,9-10,12,14H,3-4,6-7H2,1-2H3;2-3,8-10,13H,4-7H2,1H3,(H,14,15);4,7-9,11,13H,2-3,5-6H2,1H3;2-3,8-10,13H,4-7H2,1H3;2-3,8-9,11,13H,4-7H2,1H3;4,7-9,11,13H,2-3,5-6H2,1H3;2-3,8-10,13H,4-7H2,1H3;2*6-9,12H,2-5H2,1H3
InChIKeyAFFWUIDGOBZWTP-UHFFFAOYSA-N
XLogP11.26
TPSA624.25 Ų
H-Bond Donors13
H-Bond Acceptors45
Rotatable Bonds36
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002966.95
LogP ≤ 511.26
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1045

Analyze 3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The IUPAC name of 3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one (CID 157096243) is 3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one.
What is the SMILES notation for 3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The canonical SMILES for 3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one is CNC1CC2CC2CN(CC2=CC(C)(C)C=C2)C1=O.CNC1CC2CC2CN(CC2=CC=CC2(C)C)C1=O.CNC1CC2CC2CN(Cc2ccno2)C1=O.CNC1CC2CC2CN(Cc2cnc(C)o2)C1=O.CNC1CC2CC2CN(Cc2cnc(C)s2)C1=O.CNC1CC2CC2CN(Cc2cnco2)C1=O.CNC1CC2CC2CN(Cc2cncs2)C1=O.CNC1CC2CC2CN(Cc2ncc[nH]2)C1=O.CNC1CC2CC2CN(Cc2ncco2)C1=O.CNC1CC2CC2CN(Cc2nccs2)C1=O.CNC1CC2CC2CN(Cc2nnco2)C1=O.CNC1CC2CC2CN(Cc2nncs2)C1=O.
What is the InChIKey of 3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
The InChIKey is AFFWUIDGOBZWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H24N2O.C13H19N3O2.C13H19N3OS.C12H18N4O.3C12H17N3O2.2C12H17N3OS.C11H16N4O2.C11H16N4OS/c1-16(2)5-4-11(8-16)9-18-10-13-6-12(13)7-14(17-3)15(18)19;1-16(2)6-4-5-13(16)10-18-9-12-7-11(12)8-14(17-3)15(18)19;2*1-8-15-5-11(18-8)7-16-6-10-3-9(10)4-12(14-2)13(16)17;1-13-10-5-8-4-9(8)6-16(12(10)17)7-11-14-2-3-15-11;1-13-11-3-8-2-9(8)5-15(12(11)16)6-10-4-14-7-17-10;1-13-10-5-8-4-9(8)6-15(12(10)16)7-11-14-2-3-17-11;1-13-11-5-8-4-9(8)6-15(12(11)16)7-10-2-3-14-17-10;1-13-11-3-8-2-9(8)5-15(12(11)16)6-10-4-14-7-17-10;1-13-10-5-8-4-9(8)6-15(12(10)16)7-11-14-2-3-17-11;2*1-12-9-3-7-2-8(7)4-15(11(9)16)5-10-14-13-6-17-10/h4-5,8,12-14,17H,6-7,9-10H2,1-3H3;4-6,11-12,14,17H,7-10H2,1-3H3;2*5,9-10,12,14H,3-4,6-7H2,1-2H3;2-3,8-10,13H,4-7H2,1H3,(H,14,15);4,7-9,11,13H,2-3,5-6H2,1H3;2-3,8-10,13H,4-7H2,1H3;2-3,8-9,11,13H,4-7H2,1H3;4,7-9,11,13H,2-3,5-6H2,1H3;2-3,8-10,13H,4-7H2,1H3;2*6-9,12H,2-5H2,1H3.
What are the key properties of 3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one?
3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one has a molecular weight of 2966.95 g/mol, XLogP of 11.26, 36 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-(1H-imidazol-2-ylmethyl)-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-oxazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-oxadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,2-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-oxazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3,4-thiadiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(1,3-thiazol-5-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one is sourced from PubChem (CID 157096243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).