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

C218H382N36O22 — CID 159403685

IUPAC1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate)
SMILESCNC1CCCCN(C2C=CC2)C1=O.CNC1CCCCN(C2C=CCC2)C1=O.CNC1CCCCN(C2C=CCCC2)C1=O.CNC1CCCCN(C2C=CCCCC2)C1=O.CNC1CCCCN(C2CC2)C1=O.CNC1CCCCN(C2CC=CC2)C1=O.CNC1CCCCN(C2CC=CCC2)C1=O.CNC1CCCCN(C2CC=CCCC2)C1=O.CNC1CCCCN(C2CCC2)C1=O.CNC1CCCCN(C2CCC3CC3C2)C1=O.CNC1CCCCN(C2CCC=CCC2)C1=O.CNC1CCCCN(C2CCCC2)C1=O.CNC1CCCCN(C2CCCCC2)C1=O.CNC1CCCCN(C2CCCCCC2)C1=O.CNC1CCCCN(CC(=O)OC)C1=O.CNC1CCCCN(CC(=O)OC)C1=O.CNC1CCCCN(CC2CCC3CC32)C1=O.CNC1CCCCNC1=O
InChIInChI=1S/2C14H24N2O.C14H26N2O.3C14H24N2O.C13H24N2O.2C13H22N2O.C12H22N2O.2C12H20N2O.C11H20N2O.C11H18N2O.2C10H18N2O3.C10H18N2O.C7H14N2O/c1-15-13-4-2-3-7-16(14(13)17)12-6-5-10-8-11(10)9-12;1-15-13-4-2-3-7-16(14(13)17)9-11-6-5-10-8-12(10)11;4*1-15-13-10-6-7-11-16(14(13)17)12-8-4-2-3-5-9-12;3*1-14-12-9-5-6-10-15(13(12)16)11-7-3-2-4-8-11;3*1-13-11-8-4-5-9-14(12(11)15)10-6-2-3-7-10;2*1-12-10-7-2-3-8-13(11(10)14)9-5-4-6-9;2*1-11-8-5-3-4-6-12(10(8)14)7-9(13)15-2;1-11-9-4-2-3-7-12(10(9)13)8-5-6-8;1-8-6-4-2-3-5-9-7(6)10/h2*10-13,15H,2-9H2,1H3;12-13,15H,2-11H2,1H3;4,8,12-13,15H,2-3,5-7,9-11H2,1H3;2,4,12-13,15H,3,5-11H2,1H3;2-3,12-13,15H,4-11H2,1H3;11-12,14H,2-10H2,1H3;3,7,11-12,14H,2,4-6,8-10H2,1H3;2-3,11-12,14H,4-10H2,1H3;10-11,13H,2-9H2,1H3;2,6,10-11,13H,3-5,7-9H2,1H3;2-3,10-11,13H,4-9H2,1H3;9-10,12H,2-8H2,1H3;4-5,9-10,12H,2-3,6-8H2,1H3;2*8,11H,3-7H2,1-2H3;8-9,11H,2-7H2,1H3;6,8H,2-5H2,1H3,(H,9,10)
InChIKeyLNRHRPIBWISCOK-UHFFFAOYSA-N
MW3859.68 g/mol
LogP23.62
Rot. Bonds38

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

1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate) (PubChem CID 159403685) has the molecular formula C218H382N36O22 and a molecular weight of 3859.68 g/mol. Its IUPAC name is 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate).

Molecular Properties

Compound Name1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate)
PubChem CID159403685
Molecular FormulaC218H382N36O22
Molecular Weight3859.68 g/mol
Exact Mass3856.99
IUPAC Name1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate)
SMILESCNC1CCCCN(C2C=CC2)C1=O.CNC1CCCCN(C2C=CCC2)C1=O.CNC1CCCCN(C2C=CCCC2)C1=O.CNC1CCCCN(C2C=CCCCC2)C1=O.CNC1CCCCN(C2CC2)C1=O.CNC1CCCCN(C2CC=CC2)C1=O.CNC1CCCCN(C2CC=CCC2)C1=O.CNC1CCCCN(C2CC=CCCC2)C1=O.CNC1CCCCN(C2CCC2)C1=O.CNC1CCCCN(C2CCC3CC3C2)C1=O.CNC1CCCCN(C2CCC=CCC2)C1=O.CNC1CCCCN(C2CCCC2)C1=O.CNC1CCCCN(C2CCCCC2)C1=O.CNC1CCCCN(C2CCCCCC2)C1=O.CNC1CCCCN(CC(=O)OC)C1=O.CNC1CCCCN(CC(=O)OC)C1=O.CNC1CCCCN(CC2CCC3CC32)C1=O.CNC1CCCCNC1=O
InChIInChI=1S/2C14H24N2O.C14H26N2O.3C14H24N2O.C13H24N2O.2C13H22N2O.C12H22N2O.2C12H20N2O.C11H20N2O.C11H18N2O.2C10H18N2O3.C10H18N2O.C7H14N2O/c1-15-13-4-2-3-7-16(14(13)17)12-6-5-10-8-11(10)9-12;1-15-13-4-2-3-7-16(14(13)17)9-11-6-5-10-8-12(10)11;4*1-15-13-10-6-7-11-16(14(13)17)12-8-4-2-3-5-9-12;3*1-14-12-9-5-6-10-15(13(12)16)11-7-3-2-4-8-11;3*1-13-11-8-4-5-9-14(12(11)15)10-6-2-3-7-10;2*1-12-10-7-2-3-8-13(11(10)14)9-5-4-6-9;2*1-11-8-5-3-4-6-12(10(8)14)7-9(13)15-2;1-11-9-4-2-3-7-12(10(9)13)8-5-6-8;1-8-6-4-2-3-5-9-7(6)10/h2*10-13,15H,2-9H2,1H3;12-13,15H,2-11H2,1H3;4,8,12-13,15H,2-3,5-7,9-11H2,1H3;2,4,12-13,15H,3,5-11H2,1H3;2-3,12-13,15H,4-11H2,1H3;11-12,14H,2-10H2,1H3;3,7,11-12,14H,2,4-6,8-10H2,1H3;2-3,11-12,14H,4-10H2,1H3;10-11,13H,2-9H2,1H3;2,6,10-11,13H,3-5,7-9H2,1H3;2-3,10-11,13H,4-9H2,1H3;9-10,12H,2-8H2,1H3;4-5,9-10,12H,2-3,6-8H2,1H3;2*8,11H,3-7H2,1-2H3;8-9,11H,2-7H2,1H3;6,8H,2-5H2,1H3,(H,9,10)
InChIKeyLNRHRPIBWISCOK-UHFFFAOYSA-N
XLogP23.62
TPSA643.51 Ų
H-Bond Donors19
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003859.68
LogP ≤ 523.62
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate)?
The IUPAC name of 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate) (CID 159403685) is 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate).
What is the SMILES notation for 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate)?
The canonical SMILES for 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate) is CNC1CCCCN(C2C=CC2)C1=O.CNC1CCCCN(C2C=CCC2)C1=O.CNC1CCCCN(C2C=CCCC2)C1=O.CNC1CCCCN(C2C=CCCCC2)C1=O.CNC1CCCCN(C2CC2)C1=O.CNC1CCCCN(C2CC=CC2)C1=O.CNC1CCCCN(C2CC=CCC2)C1=O.CNC1CCCCN(C2CC=CCCC2)C1=O.CNC1CCCCN(C2CCC2)C1=O.CNC1CCCCN(C2CCC3CC3C2)C1=O.CNC1CCCCN(C2CCC=CCC2)C1=O.CNC1CCCCN(C2CCCC2)C1=O.CNC1CCCCN(C2CCCCC2)C1=O.CNC1CCCCN(C2CCCCCC2)C1=O.CNC1CCCCN(CC(=O)OC)C1=O.CNC1CCCCN(CC(=O)OC)C1=O.CNC1CCCCN(CC2CCC3CC32)C1=O.CNC1CCCCNC1=O.
What is the InChIKey of 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate)?
The InChIKey is LNRHRPIBWISCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H24N2O.C14H26N2O.3C14H24N2O.C13H24N2O.2C13H22N2O.C12H22N2O.2C12H20N2O.C11H20N2O.C11H18N2O.2C10H18N2O3.C10H18N2O.C7H14N2O/c1-15-13-4-2-3-7-16(14(13)17)12-6-5-10-8-11(10)9-12;1-15-13-4-2-3-7-16(14(13)17)9-11-6-5-10-8-12(10)11;4*1-15-13-10-6-7-11-16(14(13)17)12-8-4-2-3-5-9-12;3*1-14-12-9-5-6-10-15(13(12)16)11-7-3-2-4-8-11;3*1-13-11-8-4-5-9-14(12(11)15)10-6-2-3-7-10;2*1-12-10-7-2-3-8-13(11(10)14)9-5-4-6-9;2*1-11-8-5-3-4-6-12(10(8)14)7-9(13)15-2;1-11-9-4-2-3-7-12(10(9)13)8-5-6-8;1-8-6-4-2-3-5-9-7(6)10/h2*10-13,15H,2-9H2,1H3;12-13,15H,2-11H2,1H3;4,8,12-13,15H,2-3,5-7,9-11H2,1H3;2,4,12-13,15H,3,5-11H2,1H3;2-3,12-13,15H,4-11H2,1H3;11-12,14H,2-10H2,1H3;3,7,11-12,14H,2,4-6,8-10H2,1H3;2-3,11-12,14H,4-10H2,1H3;10-11,13H,2-9H2,1H3;2,6,10-11,13H,3-5,7-9H2,1H3;2-3,10-11,13H,4-9H2,1H3;9-10,12H,2-8H2,1H3;4-5,9-10,12H,2-3,6-8H2,1H3;2*8,11H,3-7H2,1-2H3;8-9,11H,2-7H2,1H3;6,8H,2-5H2,1H3,(H,9,10).
What are the key properties of 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate)?
1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate) has a molecular weight of 3859.68 g/mol, XLogP of 23.62, 38 rotatable bonds, 19 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate) is sourced from PubChem (CID 159403685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).