cyclohepta[c]pyridin-3-one

C10H7NO — CID 162167537

IUPACcyclohepta[c]pyridin-3-one
SMILESO=c1cc2cccccc-2cn1
InChIInChI=1S/C10H7NO/c12-10-6-8-4-2-1-3-5-9(8)7-11-10/h1-7H
InChIKeyZNIJJIREJAUBLQ-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.55
Rot. Bonds

About cyclohepta[c]pyridin-3-one

cyclohepta[c]pyridin-3-one (PubChem CID 162167537) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is cyclohepta[c]pyridin-3-one.

Molecular Properties

Compound Namecyclohepta[c]pyridin-3-one
PubChem CID162167537
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Namecyclohepta[c]pyridin-3-one
SMILESO=c1cc2cccccc-2cn1
InChIInChI=1S/C10H7NO/c12-10-6-8-4-2-1-3-5-9(8)7-11-10/h1-7H
InChIKeyZNIJJIREJAUBLQ-UHFFFAOYSA-N
XLogP1.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclohepta[c]pyridin-3-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-Benzazepin-2-one
CID 19092219
8-Oxopyrido[2,3-b]azepine
CID 54484510
2H-3-benzazepine-2-on-hydrochloride
CID 129717137
10aH-2-benzazocin-3-one
CID 123396627
Isoquinoline-3,7-dione
CID 129872515
Cyclohepta[c]pyridin-1-one
CID 132279945
2-Oxo-4-vinylpyrrole
CID 172433115
6aH-3-benzazocin-4-one
CID 54522036
3-Methyl-5-methylidenepyridin-2-one
CID 57823656
(E)-3-(2,3-dihydropyridin-5-yl)prop-2-enamide
CID 70232698
(1Z,5Z)-6aH-3-benzazocin-4-one
CID 70543314
5-Methylidenepyridin-2-one
CID 74059266

Frequently Asked Questions

What is the IUPAC name of cyclohepta[c]pyridin-3-one?
The IUPAC name of cyclohepta[c]pyridin-3-one (CID 162167537) is cyclohepta[c]pyridin-3-one.
What is the SMILES notation for cyclohepta[c]pyridin-3-one?
The canonical SMILES for cyclohepta[c]pyridin-3-one is O=c1cc2cccccc-2cn1.
What is the InChIKey of cyclohepta[c]pyridin-3-one?
The InChIKey is ZNIJJIREJAUBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c12-10-6-8-4-2-1-3-5-9(8)7-11-10/h1-7H.
What are the key properties of cyclohepta[c]pyridin-3-one?
cyclohepta[c]pyridin-3-one has a molecular weight of 157.17 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[c]pyridin-3-one is sourced from PubChem (CID 162167537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).