Basic information
- CAS
122087-86-9- Standard SMILES
CC(=O)NC1=CC2C=CC(=O)C12- InChIKey
KDLXWXGODQFBEC-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Overview
structure given in first source; RN given is for (+-) isomer
Names & identifiers
- Preferred name
- 7-Acetylaminobicyclo(3.2.0)hepta-3,6-dien-2-one
- IUPAC
- N-(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)acetamide
- English name
- 7-acetylaminobicyclo(3.2.0)hepta-3,6-dien-2-one
- Molecular weight
- 0
Names & synonyms
7-Aabhdo7-Acetylaminobicyclo(3.2.0)hepta-3,6-dien-2-one122087-86-9RefChem:105767N-(4-oxo-6-bicyclo[3.2.0]hepta-2,6-dienyl)acetamide27835-19-4DTXSID00924075N-(4-Oxobicyclo[3.2.0]hepta-2,6-dien-6-yl)ethanimidic acidAcetamide, N-(4-oxobicyclo(3.2.0)hepta-2,6-dien-6-yl)-, (+-)-
Database identifiers
- CAS
122087-86-9- PubChem CID
- 129592
- DTXSID
DTXSID00924075- Nikkaji
- J1.965.516D
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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