Basic information
- Standard SMILES
CN1N=C2CCNC[C@@]2(Cc2ccccc2)C1=O- InChIKey
SRIVSGVZUKSXSC-CQSZACIVSA-N- Molecular formula
- C14H17N3O
- Average molar mass
- 243.3 g/mol
- Monoisotopic mass
- 243.13716217
Names & identifiers
- Preferred name
- 3a-(r)-Benzyl-2-methyl-2,3a,4,5,6,7-hexahydro-pyrazolo[4,3-c]pyridin-3-one
- IUPAC
- (3aR)-3a-benzyl-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
Names & synonyms
SCHEMBL5250391SRIVSGVZUKSXSC-CQSZACIVSA-N3a-(r)-benzyl-2-methyl-2,3a,4,5,6,7-hexahydro-pyrazolo[4,3-c]pyridin-3-one
Database identifiers
- PubChem CID
- 9977873
- Nikkaji
- J3.609.871F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 373
Related reactions
1 records
Compound notes
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