1,6-Dimethyl-7-azabicyclo[4.2.0]octa-2,4-dien-8-one
Basic information
- CAS
24321-92-4- Standard SMILES
CC12C=CC=CC1(C)C(=O)N2- InChIKey
GYNZSQNYJFXQKR-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 1,6-Dimethyl-7-azabicyclo[4.2.0]octa-2,4-dien-8-one
- IUPAC
- 1,6-dimethyl-7-azabicyclo[4.2.0]octa-2,4-dien-8-one
Names & synonyms
24321-92-41,6-dimethyl-7-azabicyclo[4.2.0]octa-2,4-dien-8-oneNSC174623DTXSID50306206NSC-174623
Database identifiers
- CAS
24321-92-4- PubChem CID
- 300280
- DTXSID
DTXSID50306206
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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