1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one

C110H192N14O7 — CID 157398389

IUPAC1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCC(C)CN(C23CCC(CC2)C3)C1=O.CNC1CCC(C)CN(C2CC3CCC2C3)C1=O.CNC1CCC(C)CN(C2CC3CCCC2C3)C1=O.CNC1CCC(C)CN(C2CC3CCCC2C3)C1=O.CNC1CCC(C)CN(C2CCC=CCC2)C1=O.CNC1CCC(C)CN(CC2CC3CCC(C3)C2)C1=O.CNC1CCC(C)CN(CC2CC3CCC2C3)C1=O
InChIInChI=1S/C17H30N2O.3C16H28N2O.3C15H26N2O/c1-12-3-6-16(18-2)17(20)19(10-12)11-15-8-13-4-5-14(7-13)9-15;1-11-3-6-15(17-2)16(19)18(9-11)10-14-8-12-4-5-13(14)7-12;2*1-11-6-7-14(17-2)16(19)18(10-11)15-9-12-4-3-5-13(15)8-12;1-10-3-6-13(16-2)15(18)17(9-10)14-8-11-4-5-12(14)7-11;1-11-3-4-13(16-2)14(18)17(10-11)15-7-5-12(9-15)6-8-15;1-12-9-10-14(16-2)15(18)17(11-12)13-7-5-3-4-6-8-13/h12-16,18H,3-11H2,1-2H3;3*11-15,17H,3-10H2,1-2H3;10-14,16H,3-9H2,1-2H3;11-13,16H,3-10H2,1-2H3;3-4,12-14,16H,5-11H2,1-2H3
InChIKeyBMVSVHXYOWFWAS-UHFFFAOYSA-N
MW1822.84 g/mol
LogP16.27
Rot. Bonds16

About 1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one

1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one (PubChem CID 157398389) has the molecular formula C110H192N14O7 and a molecular weight of 1822.84 g/mol. Its IUPAC name is 1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one
PubChem CID157398389
Molecular FormulaC110H192N14O7
Molecular Weight1822.84 g/mol
Exact Mass1821.51
IUPAC Name1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one
SMILESCNC1CCC(C)CN(C23CCC(CC2)C3)C1=O.CNC1CCC(C)CN(C2CC3CCC2C3)C1=O.CNC1CCC(C)CN(C2CC3CCCC2C3)C1=O.CNC1CCC(C)CN(C2CC3CCCC2C3)C1=O.CNC1CCC(C)CN(C2CCC=CCC2)C1=O.CNC1CCC(C)CN(CC2CC3CCC(C3)C2)C1=O.CNC1CCC(C)CN(CC2CC3CCC2C3)C1=O
InChIInChI=1S/C17H30N2O.3C16H28N2O.3C15H26N2O/c1-12-3-6-16(18-2)17(20)19(10-12)11-15-8-13-4-5-14(7-13)9-15;1-11-3-6-15(17-2)16(19)18(9-11)10-14-8-12-4-5-13(14)7-12;2*1-11-6-7-14(17-2)16(19)18(10-11)15-9-12-4-3-5-13(15)8-12;1-10-3-6-13(16-2)15(18)17(9-10)14-8-11-4-5-12(14)7-11;1-11-3-4-13(16-2)14(18)17(10-11)15-7-5-12(9-15)6-8-15;1-12-9-10-14(16-2)15(18)17(11-12)13-7-5-3-4-6-8-13/h12-16,18H,3-11H2,1-2H3;3*11-15,17H,3-10H2,1-2H3;10-14,16H,3-9H2,1-2H3;11-13,16H,3-10H2,1-2H3;3-4,12-14,16H,5-11H2,1-2H3
InChIKeyBMVSVHXYOWFWAS-UHFFFAOYSA-N
XLogP16.27
TPSA226.38 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001822.84
LogP ≤ 516.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one?
The IUPAC name of 1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one (CID 157398389) is 1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one is CNC1CCC(C)CN(C23CCC(CC2)C3)C1=O.CNC1CCC(C)CN(C2CC3CCC2C3)C1=O.CNC1CCC(C)CN(C2CC3CCCC2C3)C1=O.CNC1CCC(C)CN(C2CC3CCCC2C3)C1=O.CNC1CCC(C)CN(C2CCC=CCC2)C1=O.CNC1CCC(C)CN(CC2CC3CCC(C3)C2)C1=O.CNC1CCC(C)CN(CC2CC3CCC2C3)C1=O.
What is the InChIKey of 1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one?
The InChIKey is BMVSVHXYOWFWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.3C16H28N2O.3C15H26N2O/c1-12-3-6-16(18-2)17(20)19(10-12)11-15-8-13-4-5-14(7-13)9-15;1-11-3-6-15(17-2)16(19)18(9-11)10-14-8-12-4-5-13(14)7-12;2*1-11-6-7-14(17-2)16(19)18(10-11)15-9-12-4-3-5-13(15)8-12;1-10-3-6-13(16-2)15(18)17(9-10)14-8-11-4-5-12(14)7-11;1-11-3-4-13(16-2)14(18)17(10-11)15-7-5-12(9-15)6-8-15;1-12-9-10-14(16-2)15(18)17(11-12)13-7-5-3-4-6-8-13/h12-16,18H,3-11H2,1-2H3;3*11-15,17H,3-10H2,1-2H3;10-14,16H,3-9H2,1-2H3;11-13,16H,3-10H2,1-2H3;3-4,12-14,16H,5-11H2,1-2H3.
What are the key properties of 1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one?
1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one has a molecular weight of 1822.84 g/mol, XLogP of 16.27, 16 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 157398389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).