10H-pyrimido[1,2-a]azepin-4-one

C9H8N2O — CID 57162111

IUPAC10H-pyrimido[1,2-a]azepin-4-one
SMILESO=c1ccnc2n1C=CC=CC2
InChIInChI=1S/C9H8N2O/c12-9-5-6-10-8-4-2-1-3-7-11(8)9/h1-3,5-7H,4H2
InChIKeyHVDICHBAYHJTAX-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.83
Rot. Bonds

About 10H-pyrimido[1,2-a]azepin-4-one

10H-pyrimido[1,2-a]azepin-4-one (PubChem CID 57162111) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 10H-pyrimido[1,2-a]azepin-4-one.

Molecular Properties

Compound Name10H-pyrimido[1,2-a]azepin-4-one
PubChem CID57162111
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name10H-pyrimido[1,2-a]azepin-4-one
SMILESO=c1ccnc2n1C=CC=CC2
InChIInChI=1S/C9H8N2O/c12-9-5-6-10-8-4-2-1-3-7-11(8)9/h1-3,5-7H,4H2
InChIKeyHVDICHBAYHJTAX-UHFFFAOYSA-N
XLogP0.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10H-pyrimido[1,2-a]azepin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3,7-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 155812076
7-Methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 529100
2-(diethylamino)-N,N-dimethyl-3H-azepine-5-carboxamide
CID 86151925
2-(diethylamino)-N,N-diethyl-3H-azepine-6-carboxamide
CID 134989648
8-Ethyl-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 155816742
7,9-Dimethylpyrido[1,2-a]pyrimidin-4-one
CID 20347980
9-Ethylpyrido[1,2-a]pyrimidin-4-one
CID 20347986
7-Ethylpyrido[1,2-a]pyrimidin-4-one
CID 20348008
8H-pyrimido[1,2-a]azepin-4-one
CID 54342456
6,7-Dihydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 71413651
1-(3,4-Dihydropyridin-2-yl)pyridin-2-one
CID 129196334
9-Ethenylpyrido[1,2-a]pyrimidin-4-one
CID 135245055

Frequently Asked Questions

What is the IUPAC name of 10H-pyrimido[1,2-a]azepin-4-one?
The IUPAC name of 10H-pyrimido[1,2-a]azepin-4-one (CID 57162111) is 10H-pyrimido[1,2-a]azepin-4-one.
What is the SMILES notation for 10H-pyrimido[1,2-a]azepin-4-one?
The canonical SMILES for 10H-pyrimido[1,2-a]azepin-4-one is O=c1ccnc2n1C=CC=CC2.
What is the InChIKey of 10H-pyrimido[1,2-a]azepin-4-one?
The InChIKey is HVDICHBAYHJTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-5-6-10-8-4-2-1-3-7-11(8)9/h1-3,5-7H,4H2.
What are the key properties of 10H-pyrimido[1,2-a]azepin-4-one?
10H-pyrimido[1,2-a]azepin-4-one has a molecular weight of 160.18 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-pyrimido[1,2-a]azepin-4-one is sourced from PubChem (CID 57162111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).