1-methyl-3-benzazepin-2-one

C11H9NO — CID 142141229

IUPAC1-methyl-3-benzazepin-2-one
SMILESCc1c(=O)nccc2ccccc12
InChIInChI=1S/C11H9NO/c1-8-10-5-3-2-4-9(10)6-7-12-11(8)13/h2-7H,1H3
InChIKeyVKHFXQBXEVPHAX-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.90
Rot. Bonds

About 1-methyl-3-benzazepin-2-one

1-methyl-3-benzazepin-2-one (PubChem CID 142141229) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-methyl-3-benzazepin-2-one.

Molecular Properties

Compound Name1-methyl-3-benzazepin-2-one
PubChem CID142141229
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name1-methyl-3-benzazepin-2-one
SMILESCc1c(=O)nccc2ccccc12
InChIInChI=1S/C11H9NO/c1-8-10-5-3-2-4-9(10)6-7-12-11(8)13/h2-7H,1H3
InChIKeyVKHFXQBXEVPHAX-UHFFFAOYSA-N
XLogP1.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-benzazepin-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

3-Benzazepin-2-one
CID 19092219
Cyclopenta[d]pyridon
CID 91450060
2H-3-benzazepine-2-on-hydrochloride
CID 129717137
Cyclohepta[c]pyridin-1-one
CID 132279945
3-Methylidenepyridin-2-one
CID 18522756
3-Methyl-1-benzazepin-2-one
CID 20546908
3-Ethylazepin-2-one
CID 23218762
Isoquinolin-1(7H)-one
CID 45079456
6aH-3-benzazocin-4-one
CID 54522036
3-Methyl-5-methylidenepyridin-2-one
CID 57823656
4-Ethyl-2-oxoazepine-3-carboxamide
CID 69564665
(1Z,5Z)-6aH-3-benzazocin-4-one
CID 70543314

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-benzazepin-2-one?
The IUPAC name of 1-methyl-3-benzazepin-2-one (CID 142141229) is 1-methyl-3-benzazepin-2-one.
What is the SMILES notation for 1-methyl-3-benzazepin-2-one?
The canonical SMILES for 1-methyl-3-benzazepin-2-one is Cc1c(=O)nccc2ccccc12.
What is the InChIKey of 1-methyl-3-benzazepin-2-one?
The InChIKey is VKHFXQBXEVPHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-8-10-5-3-2-4-9(10)6-7-12-11(8)13/h2-7H,1H3.
What are the key properties of 1-methyl-3-benzazepin-2-one?
1-methyl-3-benzazepin-2-one has a molecular weight of 171.20 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-benzazepin-2-one is sourced from PubChem (CID 142141229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).