1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one

C231H408N34O17 — CID 158552085

IUPAC1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)N(C2C=CC2)C1=O.CNC1CCCC(C)N(C2C=CCC2)C1=O.CNC1CCCC(C)N(C2C=CCCC2)C1=O.CNC1CCCC(C)N(C2C=CCCCC2)C1=O.CNC1CCCC(C)N(C2CC2)C1=O.CNC1CCCC(C)N(C2CC3CCC(C3)C2)C1=O.CNC1CCCC(C)N(C2CC=CC2)C1=O.CNC1CCCC(C)N(C2CC=CCC2)C1=O.CNC1CCCC(C)N(C2CC=CCCC2)C1=O.CNC1CCCC(C)N(C2CCC2)C1=O.CNC1CCCC(C)N(C2CCC3CC3C2)C1=O.CNC1CCCC(C)N(C2CCC=CCC2)C1=O.CNC1CCCC(C)N(C2CCCC2)C1=O.CNC1CCCC(C)N(C2CCCCC2)C1=O.CNC1CCCC(C)N(C2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCC3CC32)C1=O.CNC1CCCC(C)NC1=O
InChIInChI=1S/2C16H28N2O.C15H26N2O.C15H28N2O.3C15H26N2O.C14H26N2O.2C14H24N2O.C13H24N2O.2C13H22N2O.C12H22N2O.C12H20N2O.C11H20N2O.C8H16N2O/c1-11-5-3-8-15(17-2)16(19)18(11)10-13-7-4-6-12-9-14(12)13;1-11-4-3-5-15(17-2)16(19)18(11)14-9-12-6-7-13(8-12)10-14;1-10-4-3-5-14(16-2)15(18)17(10)13-7-6-11-8-12(11)9-13;4*1-12-8-7-11-14(16-2)15(18)17(12)13-9-5-3-4-6-10-13;3*1-11-7-6-10-13(15-2)14(17)16(11)12-8-4-3-5-9-12;3*1-10-6-5-9-12(14-2)13(16)15(10)11-7-3-4-8-11;2*1-9-5-3-8-11(13-2)12(15)14(9)10-6-4-7-10;1-8-4-3-5-10(12-2)11(14)13(8)9-6-7-9;1-6-4-3-5-7(9-2)8(11)10-6/h2*11-15,17H,3-10H2,1-2H3;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;4,6,9-11,13H,3,5,7-8H2,1-2H3;8-10,12H,3-7H2,1-2H3;6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyHPVQEODQZWIXQC-UHFFFAOYSA-N
MW3934.03 g/mol
LogP33.27
Rot. Bonds34

About 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one

1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one (PubChem CID 158552085) has the molecular formula C231H408N34O17 and a molecular weight of 3934.03 g/mol. Its IUPAC name is 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one
PubChem CID158552085
Molecular FormulaC231H408N34O17
Molecular Weight3934.03 g/mol
Exact Mass3931.21
IUPAC Name1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)N(C2C=CC2)C1=O.CNC1CCCC(C)N(C2C=CCC2)C1=O.CNC1CCCC(C)N(C2C=CCCC2)C1=O.CNC1CCCC(C)N(C2C=CCCCC2)C1=O.CNC1CCCC(C)N(C2CC2)C1=O.CNC1CCCC(C)N(C2CC3CCC(C3)C2)C1=O.CNC1CCCC(C)N(C2CC=CC2)C1=O.CNC1CCCC(C)N(C2CC=CCC2)C1=O.CNC1CCCC(C)N(C2CC=CCCC2)C1=O.CNC1CCCC(C)N(C2CCC2)C1=O.CNC1CCCC(C)N(C2CCC3CC3C2)C1=O.CNC1CCCC(C)N(C2CCC=CCC2)C1=O.CNC1CCCC(C)N(C2CCCC2)C1=O.CNC1CCCC(C)N(C2CCCCC2)C1=O.CNC1CCCC(C)N(C2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCC3CC32)C1=O.CNC1CCCC(C)NC1=O
InChIInChI=1S/2C16H28N2O.C15H26N2O.C15H28N2O.3C15H26N2O.C14H26N2O.2C14H24N2O.C13H24N2O.2C13H22N2O.C12H22N2O.C12H20N2O.C11H20N2O.C8H16N2O/c1-11-5-3-8-15(17-2)16(19)18(11)10-13-7-4-6-12-9-14(12)13;1-11-4-3-5-15(17-2)16(19)18(11)14-9-12-6-7-13(8-12)10-14;1-10-4-3-5-14(16-2)15(18)17(10)13-7-6-11-8-12(11)9-13;4*1-12-8-7-11-14(16-2)15(18)17(12)13-9-5-3-4-6-10-13;3*1-11-7-6-10-13(15-2)14(17)16(11)12-8-4-3-5-9-12;3*1-10-6-5-9-12(14-2)13(16)15(10)11-7-3-4-8-11;2*1-9-5-3-8-11(13-2)12(15)14(9)10-6-4-7-10;1-8-4-3-5-10(12-2)11(14)13(8)9-6-7-9;1-6-4-3-5-7(9-2)8(11)10-6/h2*11-15,17H,3-10H2,1-2H3;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;4,6,9-11,13H,3,5,7-8H2,1-2H3;8-10,12H,3-7H2,1-2H3;6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyHPVQEODQZWIXQC-UHFFFAOYSA-N
XLogP33.27
TPSA558.57 Ų
H-Bond Donors18
H-Bond Acceptors34
Rotatable Bonds34
Heavy Atoms282
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003934.03
LogP ≤ 533.27
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one (CID 158552085) is 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one is CNC1CCCC(C)N(C2C=CC2)C1=O.CNC1CCCC(C)N(C2C=CCC2)C1=O.CNC1CCCC(C)N(C2C=CCCC2)C1=O.CNC1CCCC(C)N(C2C=CCCCC2)C1=O.CNC1CCCC(C)N(C2CC2)C1=O.CNC1CCCC(C)N(C2CC3CCC(C3)C2)C1=O.CNC1CCCC(C)N(C2CC=CC2)C1=O.CNC1CCCC(C)N(C2CC=CCC2)C1=O.CNC1CCCC(C)N(C2CC=CCCC2)C1=O.CNC1CCCC(C)N(C2CCC2)C1=O.CNC1CCCC(C)N(C2CCC3CC3C2)C1=O.CNC1CCCC(C)N(C2CCC=CCC2)C1=O.CNC1CCCC(C)N(C2CCCC2)C1=O.CNC1CCCC(C)N(C2CCCCC2)C1=O.CNC1CCCC(C)N(C2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCC3CC32)C1=O.CNC1CCCC(C)NC1=O.
What is the InChIKey of 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one?
The InChIKey is HPVQEODQZWIXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H28N2O.C15H26N2O.C15H28N2O.3C15H26N2O.C14H26N2O.2C14H24N2O.C13H24N2O.2C13H22N2O.C12H22N2O.C12H20N2O.C11H20N2O.C8H16N2O/c1-11-5-3-8-15(17-2)16(19)18(11)10-13-7-4-6-12-9-14(12)13;1-11-4-3-5-15(17-2)16(19)18(11)14-9-12-6-7-13(8-12)10-14;1-10-4-3-5-14(16-2)15(18)17(10)13-7-6-11-8-12(11)9-13;4*1-12-8-7-11-14(16-2)15(18)17(12)13-9-5-3-4-6-10-13;3*1-11-7-6-10-13(15-2)14(17)16(11)12-8-4-3-5-9-12;3*1-10-6-5-9-12(14-2)13(16)15(10)11-7-3-4-8-11;2*1-9-5-3-8-11(13-2)12(15)14(9)10-6-4-7-10;1-8-4-3-5-10(12-2)11(14)13(8)9-6-7-9;1-6-4-3-5-7(9-2)8(11)10-6/h2*11-15,17H,3-10H2,1-2H3;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;4,6,9-11,13H,3,5,7-8H2,1-2H3;8-10,12H,3-7H2,1-2H3;6-7,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one?
1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one has a molecular weight of 3934.03 g/mol, XLogP of 33.27, 34 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[4.1.0]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 158552085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).