imidazo[1,2-a]azepin-7-one

C8H6N2O — CID 12692689

IUPACimidazo[1,2-a]azepin-7-one
SMILESO=c1ccc2nccn2cc1
InChIInChI=1S/C8H6N2O/c11-7-1-2-8-9-4-6-10(8)5-3-7/h1-6H
InChIKeyDUDAAXKVXCZZPY-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.69
Rot. Bonds

About imidazo[1,2-a]azepin-7-one

imidazo[1,2-a]azepin-7-one (PubChem CID 12692689) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is imidazo[1,2-a]azepin-7-one.

Molecular Properties

Compound Nameimidazo[1,2-a]azepin-7-one
PubChem CID12692689
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Nameimidazo[1,2-a]azepin-7-one
SMILESO=c1ccc2nccn2cc1
InChIInChI=1S/C8H6N2O/c11-7-1-2-8-9-4-6-10(8)5-3-7/h1-6H
InChIKeyDUDAAXKVXCZZPY-UHFFFAOYSA-N
XLogP0.69
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze imidazo[1,2-a]azepin-7-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 imidazo[1,2-a]azepin-7-one?
The IUPAC name of imidazo[1,2-a]azepin-7-one (CID 12692689) is imidazo[1,2-a]azepin-7-one.
What is the SMILES notation for imidazo[1,2-a]azepin-7-one?
The canonical SMILES for imidazo[1,2-a]azepin-7-one is O=c1ccc2nccn2cc1.
What is the InChIKey of imidazo[1,2-a]azepin-7-one?
The InChIKey is DUDAAXKVXCZZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-7-1-2-8-9-4-6-10(8)5-3-7/h1-6H.
What are the key properties of imidazo[1,2-a]azepin-7-one?
imidazo[1,2-a]azepin-7-one has a molecular weight of 146.15 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]azepin-7-one is sourced from PubChem (CID 12692689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).