2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one

C10H17NO — CID 15716841

IUPAC2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one
SMILESO=C1CCCCC2CCCCN12
InChIInChI=1S/C10H17NO/c12-10-7-2-1-5-9-6-3-4-8-11(9)10/h9H,1-8H2
InChIKeyMOEJEPCVJCAMRD-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.94
Rot. Bonds

About 2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one

2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one (PubChem CID 15716841) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one.

Molecular Properties

Compound Name2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one
PubChem CID15716841
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one
SMILESO=C1CCCCC2CCCCN12
InChIInChI=1S/C10H17NO/c12-10-7-2-1-5-9-6-3-4-8-11(9)10/h9H,1-8H2
InChIKeyMOEJEPCVJCAMRD-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-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 2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one?
The IUPAC name of 2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one (CID 15716841) is 2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one.
What is the SMILES notation for 2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one?
The canonical SMILES for 2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one is O=C1CCCCC2CCCCN12.
What is the InChIKey of 2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one?
The InChIKey is MOEJEPCVJCAMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-10-7-2-1-5-9-6-3-4-8-11(9)10/h9H,1-8H2.
What are the key properties of 2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one?
2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one has a molecular weight of 167.25 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one is sourced from PubChem (CID 15716841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).