benzo[d][1]benzazepin-6-one

C14H9NO — CID 23444272

IUPACbenzo[d][1]benzazepin-6-one
SMILESO=c1cc2ccccc2c2ccccc2n1
InChIInChI=1S/C14H9NO/c16-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15-14/h1-9H
InChIKeyXFMZUIRSLMXLES-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.75
Rot. Bonds

About benzo[d][1]benzazepin-6-one

benzo[d][1]benzazepin-6-one (PubChem CID 23444272) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is benzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Namebenzo[d][1]benzazepin-6-one
PubChem CID23444272
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Namebenzo[d][1]benzazepin-6-one
SMILESO=c1cc2ccccc2c2ccccc2n1
InChIInChI=1S/C14H9NO/c16-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15-14/h1-9H
InChIKeyXFMZUIRSLMXLES-UHFFFAOYSA-N
XLogP2.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzo[d][1]benzazepin-6-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 benzo[d][1]benzazepin-6-one?
The IUPAC name of benzo[d][1]benzazepin-6-one (CID 23444272) is benzo[d][1]benzazepin-6-one.
What is the SMILES notation for benzo[d][1]benzazepin-6-one?
The canonical SMILES for benzo[d][1]benzazepin-6-one is O=c1cc2ccccc2c2ccccc2n1.
What is the InChIKey of benzo[d][1]benzazepin-6-one?
The InChIKey is XFMZUIRSLMXLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c16-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15-14/h1-9H.
What are the key properties of benzo[d][1]benzazepin-6-one?
benzo[d][1]benzazepin-6-one has a molecular weight of 207.23 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[d][1]benzazepin-6-one is sourced from PubChem (CID 23444272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).