2-benzazepin-1-one

C10H7NO — CID 54056700

IUPAC2-benzazepin-1-one
SMILESO=c1ncccc2ccccc12
InChIInChI=1S/C10H7NO/c12-10-9-6-2-1-4-8(9)5-3-7-11-10/h1-7H
InChIKeyLWTIGXOKZKJDEN-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.60
Rot. Bonds

About 2-benzazepin-1-one

2-benzazepin-1-one (PubChem CID 54056700) has the molecular formula C10H7NO and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-benzazepin-1-one.

Molecular Properties

Compound Name2-benzazepin-1-one
PubChem CID54056700
Molecular FormulaC10H7NO
Molecular Weight157.17 g/mol
Exact Mass157.05
IUPAC Name2-benzazepin-1-one
SMILESO=c1ncccc2ccccc12
InChIInChI=1S/C10H7NO/c12-10-9-6-2-1-4-8(9)5-3-7-11-10/h1-7H
InChIKeyLWTIGXOKZKJDEN-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(4-fluorophenyl)methylidene]benzamide
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N-[(2-fluorophenyl)methylidene]benzamide
CID 71578949
trifluoroacetaldehyde N-benzoylimine
CID 85959538
4,4-Difluoroisoquinolin-1-one
CID 91492793

Frequently Asked Questions

What is the IUPAC name of 2-benzazepin-1-one?
The IUPAC name of 2-benzazepin-1-one (CID 54056700) is 2-benzazepin-1-one.
What is the SMILES notation for 2-benzazepin-1-one?
The canonical SMILES for 2-benzazepin-1-one is O=c1ncccc2ccccc12.
What is the InChIKey of 2-benzazepin-1-one?
The InChIKey is LWTIGXOKZKJDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO/c12-10-9-6-2-1-4-8(9)5-3-7-11-10/h1-7H.
What are the key properties of 2-benzazepin-1-one?
2-benzazepin-1-one has a molecular weight of 157.17 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzazepin-1-one is sourced from PubChem (CID 54056700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).