(4S,4aS,7aS)-4-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-2-one
Basic information
- CAS
179685-94-0- Standard SMILES
C[C@H]1CC(=O)N[C@H]2CCC[C@H]21- InChIKey
UCNVOINPMLZMOV-FXQIFTODSA-N- Molecular formula
- C9H15NO
- Average molar mass
- 153.22 g/mol
- Monoisotopic mass
- 153.1153641
Names & identifiers
- Preferred name
- (4S,4aS,7aS)-4-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-2-one
- IUPAC
- (4S,4aS,7aS)-4-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-2-one
- English name
- 2H-Cyclopenta[b]pyridin-2-one,octahydro-4-methyl-,(4-alpha-,4a-bta-,7a-bta-)-(9CI)
- Molecular formula
- C9H15NO
- Molecular weight
- 153.2215
Names & synonyms
2H-Cyclopenta[b]pyridin-2-one,octahydro-4-methyl-,(4-alpha-,4a-bta-,7a-bta-)-(9CI)
Database identifiers
- CAS
179685-94-0- PubChem CID
- 131849944
Properties
Computed structural properties
- XLogP
- 1.2
- 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
- 178
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Compound notes
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