1,5-dihydropyrido[2,3-c]azepin-2-one

C9H8N2O — CID 170312439

IUPAC1,5-dihydropyrido[2,3-c]azepin-2-one
SMILESO=c1ccc2c([nH]1)C=NC=CC2
InChIInChI=1S/C9H8N2O/c12-9-4-3-7-2-1-5-10-6-8(7)11-9/h1,3-6H,2H2,(H,11,12)
InChIKeyJJFXDPCDJARUEW-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.86
Rot. Bonds

About 1,5-dihydropyrido[2,3-c]azepin-2-one

1,5-dihydropyrido[2,3-c]azepin-2-one (PubChem CID 170312439) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1,5-dihydropyrido[2,3-c]azepin-2-one.

Molecular Properties

Compound Name1,5-dihydropyrido[2,3-c]azepin-2-one
PubChem CID170312439
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1,5-dihydropyrido[2,3-c]azepin-2-one
SMILESO=c1ccc2c([nH]1)C=NC=CC2
InChIInChI=1S/C9H8N2O/c12-9-4-3-7-2-1-5-10-6-8(7)11-9/h1,3-6H,2H2,(H,11,12)
InChIKeyJJFXDPCDJARUEW-UHFFFAOYSA-N
XLogP0.86
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,5-dihydropyrido[2,3-c]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 1,5-dihydropyrido[2,3-c]azepin-2-one?
The IUPAC name of 1,5-dihydropyrido[2,3-c]azepin-2-one (CID 170312439) is 1,5-dihydropyrido[2,3-c]azepin-2-one.
What is the SMILES notation for 1,5-dihydropyrido[2,3-c]azepin-2-one?
The canonical SMILES for 1,5-dihydropyrido[2,3-c]azepin-2-one is O=c1ccc2c([nH]1)C=NC=CC2.
What is the InChIKey of 1,5-dihydropyrido[2,3-c]azepin-2-one?
The InChIKey is JJFXDPCDJARUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-4-3-7-2-1-5-10-6-8(7)11-9/h1,3-6H,2H2,(H,11,12).
What are the key properties of 1,5-dihydropyrido[2,3-c]azepin-2-one?
1,5-dihydropyrido[2,3-c]azepin-2-one has a molecular weight of 160.18 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydropyrido[2,3-c]azepin-2-one is sourced from PubChem (CID 170312439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).