10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one

C12H19NO — CID 88985010

IUPAC10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one
SMILESCC1(C)C=CCCN2CCC(=O)CC21
InChIInChI=1S/C12H19NO/c1-12(2)6-3-4-7-13-8-5-10(14)9-11(12)13/h3,6,11H,4-5,7-9H2,1-2H3
InChIKeySYGAOKFFOXBPMG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.01
Rot. Bonds

About 10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one

10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one (PubChem CID 88985010) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one.

Molecular Properties

Compound Name10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one
PubChem CID88985010
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one
SMILESCC1(C)C=CCCN2CCC(=O)CC21
InChIInChI=1S/C12H19NO/c1-12(2)6-3-4-7-13-8-5-10(14)9-11(12)13/h3,6,11H,4-5,7-9H2,1-2H3
InChIKeySYGAOKFFOXBPMG-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one?
The IUPAC name of 10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one (CID 88985010) is 10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one.
What is the SMILES notation for 10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one?
The canonical SMILES for 10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one is CC1(C)C=CCCN2CCC(=O)CC21.
What is the InChIKey of 10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one?
The InChIKey is SYGAOKFFOXBPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2)6-3-4-7-13-8-5-10(14)9-11(12)13/h3,6,11H,4-5,7-9H2,1-2H3.
What are the key properties of 10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one?
10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-1,3,4,6,7,10a-hexahydropyrido[1,2-a]azepin-2-one is sourced from PubChem (CID 88985010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).