Completing data — usually done within a minute
Basic information
- CAS
78867-61-5- Standard SMILES
O=c1cccc2n1C[C@H]1C[C@@H]2CN(Cc2ccccc2)C1- InChIKey
OKPJEOSIUJHZFG-JKSUJKDBSA-N- Molecular formula
- C18H20N2O
- Average molar mass
- 280.4 g/mol
Names & identifiers
- Preferred name
- N-Benzylcytisine
- IUPAC
- (1R,9S)-11-benzyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Names & synonyms
CHEMBL508190N-BenzylcytisineOprea1_691665OKPJEOSIUJHZFG-JKSUJKDBSA-NBDBM50279175(1R,5S)-3-Benzyl-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
Database identifiers
- CAS
78867-61-5- PubChem CID
- 872912
- ChEMBL
CHEMBL508190- Nikkaji
- J2.235.776J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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