1-benzo[b][1]benzazepin-11-ylethanone

C16H13NO — CID 606375

IUPAC1-benzo[b][1]benzazepin-11-ylethanone
SMILESCC(=O)N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C16H13NO/c1-12(18)17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-11H,1H3
InChIKeyOSQPHLCMJMVXLB-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.86
Rot. Bonds

About 1-benzo[b][1]benzazepin-11-ylethanone

1-benzo[b][1]benzazepin-11-ylethanone (PubChem CID 606375) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-benzo[b][1]benzazepin-11-ylethanone.

Molecular Properties

Compound Name1-benzo[b][1]benzazepin-11-ylethanone
PubChem CID606375
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-benzo[b][1]benzazepin-11-ylethanone
SMILESCC(=O)N1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C16H13NO/c1-12(18)17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-11H,1H3
InChIKeyOSQPHLCMJMVXLB-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzo[b][1]benzazepin-11-ylethanone?
The IUPAC name of 1-benzo[b][1]benzazepin-11-ylethanone (CID 606375) is 1-benzo[b][1]benzazepin-11-ylethanone.
What is the SMILES notation for 1-benzo[b][1]benzazepin-11-ylethanone?
The canonical SMILES for 1-benzo[b][1]benzazepin-11-ylethanone is CC(=O)N1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 1-benzo[b][1]benzazepin-11-ylethanone?
The InChIKey is OSQPHLCMJMVXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-12(18)17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17/h2-11H,1H3.
What are the key properties of 1-benzo[b][1]benzazepin-11-ylethanone?
1-benzo[b][1]benzazepin-11-ylethanone has a molecular weight of 235.29 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[b][1]benzazepin-11-ylethanone is sourced from PubChem (CID 606375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).