Basic information
- CAS
73794-60-2- Standard SMILES
CC1=CC2C=CC1C(=O)n1cccc12- InChIKey
FRKRUOGDRUFCRE-UHFFFAOYSA-N- Molecular formula
- C12H11NO
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.08406397
Names & identifiers
- Preferred name
- 6,9-Dihydro-7-methyl-6,9-etheno-5H-pyrrolo(1,2-a)azepin-5-one
- IUPAC
- 9-methyl-6-azatricyclo[6.2.2.02,6]dodeca-2,4,9,11-tetraen-7-one
Names & synonyms
73794-60-26,9-Dihydro-7-methyl-6,9-etheno-5H-pyrrolo[1,2-a]azepin-5-one6,9-Dihydro-7-methyl-6,9-etheno-5H-pyrrolo(1,2-a)azepin-5-oneRefChem:306380DTXSID8011830957-Methyl-6,9-dihydro-5H-6,9-ethenopyrrolo[1,2-a]azepin-5-one
Database identifiers
- CAS
73794-60-2- PubChem CID
- 12553003
- DTXSID
DTXSID801183095
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…