7-bromo-1-benzazepin-2-one

C10H6BrNO — CID 19989916

IUPAC7-bromo-1-benzazepin-2-one
SMILESO=c1cccc2cc(Br)ccc2n1
InChIInChI=1S/C10H6BrNO/c11-8-4-5-9-7(6-8)2-1-3-10(13)12-9/h1-6H
InChIKeyLOSGEWZFFKQLFO-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.36
Rot. Bonds

About 7-bromo-1-benzazepin-2-one

7-bromo-1-benzazepin-2-one (PubChem CID 19989916) has the molecular formula C10H6BrNO and a molecular weight of 236.07 g/mol. Its IUPAC name is 7-bromo-1-benzazepin-2-one.

Molecular Properties

Compound Name7-bromo-1-benzazepin-2-one
PubChem CID19989916
Molecular FormulaC10H6BrNO
Molecular Weight236.07 g/mol
Exact Mass234.96
IUPAC Name7-bromo-1-benzazepin-2-one
SMILESO=c1cccc2cc(Br)ccc2n1
InChIInChI=1S/C10H6BrNO/c11-8-4-5-9-7(6-8)2-1-3-10(13)12-9/h1-6H
InChIKeyLOSGEWZFFKQLFO-UHFFFAOYSA-N
XLogP2.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-1-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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-benzazepin-2-one?
The IUPAC name of 7-bromo-1-benzazepin-2-one (CID 19989916) is 7-bromo-1-benzazepin-2-one.
What is the SMILES notation for 7-bromo-1-benzazepin-2-one?
The canonical SMILES for 7-bromo-1-benzazepin-2-one is O=c1cccc2cc(Br)ccc2n1.
What is the InChIKey of 7-bromo-1-benzazepin-2-one?
The InChIKey is LOSGEWZFFKQLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO/c11-8-4-5-9-7(6-8)2-1-3-10(13)12-9/h1-6H.
What are the key properties of 7-bromo-1-benzazepin-2-one?
7-bromo-1-benzazepin-2-one has a molecular weight of 236.07 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-benzazepin-2-one is sourced from PubChem (CID 19989916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).