3-methylazepin-2-one

C7H7NO — CID 90904257

IUPAC3-methylazepin-2-one
SMILESCc1ccccnc1=O
InChIInChI=1S/C7H7NO/c1-6-4-2-3-5-8-7(6)9/h2-5H,1H3
InChIKeyGHNBWZWSJFIMQO-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.75
Rot. Bonds

About 3-methylazepin-2-one

3-methylazepin-2-one (PubChem CID 90904257) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 3-methylazepin-2-one.

Molecular Properties

Compound Name3-methylazepin-2-one
PubChem CID90904257
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name3-methylazepin-2-one
SMILESCc1ccccnc1=O
InChIInChI=1S/C7H7NO/c1-6-4-2-3-5-8-7(6)9/h2-5H,1H3
InChIKeyGHNBWZWSJFIMQO-UHFFFAOYSA-N
XLogP0.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methylazepin-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

Related Compounds

Azepinone
CID 17856120
Azoninone
CID 23322754
Methylpyrrolon
CID 57584021
Azonin-2-one
CID 74031286
Azepin-2-one hydrobromide
CID 129655840
3-(Trifluoromethyl)azepin-2-one
CID 398266
Azane;azepin-2-one
CID 18360059
3-Ethenylpyrrol-2-one
CID 67761985
3-Ethylidenepyridin-2-one
CID 76827562
4-Methylazepin-2-one
CID 91345793
Azepin-2-one;hydrochloride
CID 140176494
(E)-N-ethylidene-2-methylbut-2-enamide
CID 141037119

Frequently Asked Questions

What is the IUPAC name of 3-methylazepin-2-one?
The IUPAC name of 3-methylazepin-2-one (CID 90904257) is 3-methylazepin-2-one.
What is the SMILES notation for 3-methylazepin-2-one?
The canonical SMILES for 3-methylazepin-2-one is Cc1ccccnc1=O.
What is the InChIKey of 3-methylazepin-2-one?
The InChIKey is GHNBWZWSJFIMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-6-4-2-3-5-8-7(6)9/h2-5H,1H3.
What are the key properties of 3-methylazepin-2-one?
3-methylazepin-2-one has a molecular weight of 121.14 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylazepin-2-one is sourced from PubChem (CID 90904257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).