1-benzazocine-2,3-dione

C11H7NO2 — CID 19879807

IUPAC1-benzazocine-2,3-dione
SMILESO=c1cccc2ccccc2nc1=O
InChIInChI=1S/C11H7NO2/c13-10-7-3-5-8-4-1-2-6-9(8)12-11(10)14/h1-7H/b7-3-,8-5-,12-9-
InChIKeyMHGPWCGAPZOTBQ-KUFBPAFQSA-N
MW185.18 g/mol
LogP0.96
Rot. Bonds

About 1-benzazocine-2,3-dione

1-benzazocine-2,3-dione (PubChem CID 19879807) has the molecular formula C11H7NO2 and a molecular weight of 185.18 g/mol. Its IUPAC name is 1-benzazocine-2,3-dione.

Molecular Properties

Compound Name1-benzazocine-2,3-dione
PubChem CID19879807
Molecular FormulaC11H7NO2
Molecular Weight185.18 g/mol
Exact Mass185.05
IUPAC Name1-benzazocine-2,3-dione
SMILESO=c1cccc2ccccc2nc1=O
InChIInChI=1S/C11H7NO2/c13-10-7-3-5-8-4-1-2-6-9(8)12-11(10)14/h1-7H/b7-3-,8-5-,12-9-
InChIKeyMHGPWCGAPZOTBQ-KUFBPAFQSA-N
XLogP0.96
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzazocine-2,3-dione 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 1-benzazocine-2,3-dione?
The IUPAC name of 1-benzazocine-2,3-dione (CID 19879807) is 1-benzazocine-2,3-dione.
What is the SMILES notation for 1-benzazocine-2,3-dione?
The canonical SMILES for 1-benzazocine-2,3-dione is O=c1cccc2ccccc2nc1=O.
What is the InChIKey of 1-benzazocine-2,3-dione?
The InChIKey is MHGPWCGAPZOTBQ-KUFBPAFQSA-N. The full InChI is InChI=1S/C11H7NO2/c13-10-7-3-5-8-4-1-2-6-9(8)12-11(10)14/h1-7H/b7-3-,8-5-,12-9-.
What are the key properties of 1-benzazocine-2,3-dione?
1-benzazocine-2,3-dione has a molecular weight of 185.18 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzazocine-2,3-dione is sourced from PubChem (CID 19879807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).