(1R)-3-(3-Butenyl)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,4]diazocin-8-one
Basic information
- Standard SMILES
C=CCCN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2- InChIKey
ZVTFRRVBMAUIQW-STQMWFEESA-N- Molecular formula
- C15H20N2O
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.15756327
Overview
Rhombifoline is an alkaloid.
Names & identifiers
- Preferred name
- (1R)-3-(3-Butenyl)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,4]diazocin-8-one
- IUPAC
- (1S,9S)-11-but-3-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Names & synonyms
C10781(1S,9S)-11-But-3-enyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one(1R)-3-(3-Butenyl)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,4]diazocin-8-oneAC1L9DQZCHEBI:8837DTXSID001359513F82743Q27108158
Database identifiers
- PubChem CID
- 442963
- DTXSID
DTXSID001359513- ChEBI
CHEBI:8837
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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