Basic information
- Standard SMILES
CN1C[C@H]2CNC[C@@H]2c2ccc(F)cc2C1=O.Cl- InChIKey
IOAYTDPHSBKOOR-YFUGSSCLSA-N- Molecular formula
- C13H16ClFN2O
- Average molar mass
- 270.73 g/mol
Names & identifiers
- Preferred name
- (3aR,10bS)-8-fluoro-5-methyl-1,2,3,3a,4,5-hexahydrobenzo[c]pyrrolo[3,4-e]azepin-6(10bH)-one hydrochloride
- IUPAC
- (3aR,10bS)-8-fluoro-5-methyl-1,2,3,3a,4,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one;hydrochloride
Names & synonyms
SCHEMBL1805267IOAYTDPHSBKOOR-YFUGSSCLSA-N(3aR,10bS)-8-fluoro-5-methyl-1,2,3,3a,4,5-hexahydrobenzo[c]pyrrolo[3,4-e]azepin-6(10bH)-one hydrochloride
Database identifiers
- PubChem CID
- 67167606
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Related reactions
1 records
Compound notes
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