1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one

C222H390N32O16 — CID 158145881

IUPAC1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(C2C=CC2)CCCC1C.CNC1C(=O)N(C2C=CCC2)CCCC1C.CNC1C(=O)N(C2C=CCCC2)CCCC1C.CNC1C(=O)N(C2C=CCCCC2)CCCC1C.CNC1C(=O)N(C2CC2)CCCC1C.CNC1C(=O)N(C2CC3CCC(C3)C2)CCCC1C.CNC1C(=O)N(C2CC=CC2)CCCC1C.CNC1C(=O)N(C2CC=CCC2)CCCC1C.CNC1C(=O)N(C2CC=CCCC2)CCCC1C.CNC1C(=O)N(C2CCC2)CCCC1C.CNC1C(=O)N(C2CCC3CC3C2)CCCC1C.CNC1C(=O)N(C2CCC=CCC2)CCCC1C.CNC1C(=O)N(C2CCCC2)CCCC1C.CNC1C(=O)N(C2CCCCC2)CCCC1C.CNC1C(=O)N(C2CCCCCC2)CCCC1C.CNC1C(=O)N(CC2CCC3CC32)CCCC1C
InChIInChI=1S/C16H28N2O.2C15H26N2O.C15H28N2O.3C15H26N2O.C14H26N2O.2C14H24N2O.C13H24N2O.2C13H22N2O.C12H22N2O.C12H20N2O.C11H20N2O/c1-11-4-3-7-18(16(19)15(11)17-2)14-9-12-5-6-13(8-12)10-14;1-10-4-3-7-17(15(18)14(10)16-2)13-6-5-11-8-12(11)9-13;1-10-4-3-7-17(15(18)14(10)16-2)9-12-6-5-11-8-13(11)12;4*1-12-8-7-11-17(15(18)14(12)16-2)13-9-5-3-4-6-10-13;3*1-11-7-6-10-16(14(17)13(11)15-2)12-8-4-3-5-9-12;3*1-10-6-5-9-15(11-7-3-4-8-11)13(16)12(10)14-2;2*1-9-5-4-8-14(10-6-3-7-10)12(15)11(9)13-2;1-8-4-3-7-13(9-5-6-9)11(14)10(8)12-2/h11-15,17H,3-10H2,1-2H3;2*10-14,16H,3-9H2,1-2H3;12-14,16H,3-11H2,1-2H3;5,9,12-14,16H,3-4,6-8,10-11H2,1-2H3;3,5,12-14,16H,4,6-11H2,1-2H3;3-4,12-14,16H,5-11H2,1-2H3;11-13,15H,3-10H2,1-2H3;4,8,11-13,15H,3,5-7,9-10H2,1-2H3;3-4,11-13,15H,5-10H2,1-2H3;10-12,14H,3-9H2,1-2H3;3,7,10-12,14H,4-6,8-9H2,1-2H3;3-4,10-12,14H,5-9H2,1-2H3;9-11,13H,3-8H2,1-2H3;3,6,9-11,13H,4-5,7-8H2,1-2H3;8-10,12H,3-7H2,1-2H3
InChIKeyFUMXDIZFVXXKNT-UHFFFAOYSA-N
MW3763.77 g/mol
LogP30.33
Rot. Bonds33

About 1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one

1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one (PubChem CID 158145881) has the molecular formula C222H390N32O16 and a molecular weight of 3763.77 g/mol. Its IUPAC name is 1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one
PubChem CID158145881
Molecular FormulaC222H390N32O16
Molecular Weight3763.77 g/mol
Exact Mass3761.07
IUPAC Name1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(C2C=CC2)CCCC1C.CNC1C(=O)N(C2C=CCC2)CCCC1C.CNC1C(=O)N(C2C=CCCC2)CCCC1C.CNC1C(=O)N(C2C=CCCCC2)CCCC1C.CNC1C(=O)N(C2CC2)CCCC1C.CNC1C(=O)N(C2CC3CCC(C3)C2)CCCC1C.CNC1C(=O)N(C2CC=CC2)CCCC1C.CNC1C(=O)N(C2CC=CCC2)CCCC1C.CNC1C(=O)N(C2CC=CCCC2)CCCC1C.CNC1C(=O)N(C2CCC2)CCCC1C.CNC1C(=O)N(C2CCC3CC3C2)CCCC1C.CNC1C(=O)N(C2CCC=CCC2)CCCC1C.CNC1C(=O)N(C2CCCC2)CCCC1C.CNC1C(=O)N(C2CCCCC2)CCCC1C.CNC1C(=O)N(C2CCCCCC2)CCCC1C.CNC1C(=O)N(CC2CCC3CC32)CCCC1C
InChIInChI=1S/C16H28N2O.2C15H26N2O.C15H28N2O.3C15H26N2O.C14H26N2O.2C14H24N2O.C13H24N2O.2C13H22N2O.C12H22N2O.C12H20N2O.C11H20N2O/c1-11-4-3-7-18(16(19)15(11)17-2)14-9-12-5-6-13(8-12)10-14;1-10-4-3-7-17(15(18)14(10)16-2)13-6-5-11-8-12(11)9-13;1-10-4-3-7-17(15(18)14(10)16-2)9-12-6-5-11-8-13(11)12;4*1-12-8-7-11-17(15(18)14(12)16-2)13-9-5-3-4-6-10-13;3*1-11-7-6-10-16(14(17)13(11)15-2)12-8-4-3-5-9-12;3*1-10-6-5-9-15(11-7-3-4-8-11)13(16)12(10)14-2;2*1-9-5-4-8-14(10-6-3-7-10)12(15)11(9)13-2;1-8-4-3-7-13(9-5-6-9)11(14)10(8)12-2/h11-15,17H,3-10H2,1-2H3;2*10-14,16H,3-9H2,1-2H3;12-14,16H,3-11H2,1-2H3;5,9,12-14,16H,3-4,6-8,10-11H2,1-2H3;3,5,12-14,16H,4,6-11H2,1-2H3;3-4,12-14,16H,5-11H2,1-2H3;11-13,15H,3-10H2,1-2H3;4,8,11-13,15H,3,5-7,9-10H2,1-2H3;3-4,11-13,15H,5-10H2,1-2H3;10-12,14H,3-9H2,1-2H3;3,7,10-12,14H,4-6,8-9H2,1-2H3;3-4,10-12,14H,5-9H2,1-2H3;9-11,13H,3-8H2,1-2H3;3,6,9-11,13H,4-5,7-8H2,1-2H3;8-10,12H,3-7H2,1-2H3
InChIKeyFUMXDIZFVXXKNT-UHFFFAOYSA-N
XLogP30.33
TPSA517.44 Ų
H-Bond Donors16
H-Bond Acceptors32
Rotatable Bonds33
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003763.77
LogP ≤ 530.33
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one (CID 158145881) is 1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one is CNC1C(=O)N(C2C=CC2)CCCC1C.CNC1C(=O)N(C2C=CCC2)CCCC1C.CNC1C(=O)N(C2C=CCCC2)CCCC1C.CNC1C(=O)N(C2C=CCCCC2)CCCC1C.CNC1C(=O)N(C2CC2)CCCC1C.CNC1C(=O)N(C2CC3CCC(C3)C2)CCCC1C.CNC1C(=O)N(C2CC=CC2)CCCC1C.CNC1C(=O)N(C2CC=CCC2)CCCC1C.CNC1C(=O)N(C2CC=CCCC2)CCCC1C.CNC1C(=O)N(C2CCC2)CCCC1C.CNC1C(=O)N(C2CCC3CC3C2)CCCC1C.CNC1C(=O)N(C2CCC=CCC2)CCCC1C.CNC1C(=O)N(C2CCCC2)CCCC1C.CNC1C(=O)N(C2CCCCC2)CCCC1C.CNC1C(=O)N(C2CCCCCC2)CCCC1C.CNC1C(=O)N(CC2CCC3CC32)CCCC1C.
What is the InChIKey of 1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one?
The InChIKey is FUMXDIZFVXXKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O.2C15H26N2O.C15H28N2O.3C15H26N2O.C14H26N2O.2C14H24N2O.C13H24N2O.2C13H22N2O.C12H22N2O.C12H20N2O.C11H20N2O/c1-11-4-3-7-18(16(19)15(11)17-2)14-9-12-5-6-13(8-12)10-14;1-10-4-3-7-17(15(18)14(10)16-2)13-6-5-11-8-12(11)9-13;1-10-4-3-7-17(15(18)14(10)16-2)9-12-6-5-11-8-13(11)12;4*1-12-8-7-11-17(15(18)14(12)16-2)13-9-5-3-4-6-10-13;3*1-11-7-6-10-16(14(17)13(11)15-2)12-8-4-3-5-9-12;3*1-10-6-5-9-15(11-7-3-4-8-11)13(16)12(10)14-2;2*1-9-5-4-8-14(10-6-3-7-10)12(15)11(9)13-2;1-8-4-3-7-13(9-5-6-9)11(14)10(8)12-2/h11-15,17H,3-10H2,1-2H3;2*10-14,16H,3-9H2,1-2H3;12-14,16H,3-11H2,1-2H3;5,9,12-14,16H,3-4,6-8,10-11H2,1-2H3;3,5,12-14,16H,4,6-11H2,1-2H3;3-4,12-14,16H,5-11H2,1-2H3;11-13,15H,3-10H2,1-2H3;4,8,11-13,15H,3,5-7,9-10H2,1-2H3;3-4,11-13,15H,5-10H2,1-2H3;10-12,14H,3-9H2,1-2H3;3,7,10-12,14H,4-6,8-9H2,1-2H3;3-4,10-12,14H,5-9H2,1-2H3;9-11,13H,3-8H2,1-2H3;3,6,9-11,13H,4-5,7-8H2,1-2H3;8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one?
1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one has a molecular weight of 3763.77 g/mol, XLogP of 30.33, 33 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 158145881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).