Basic information
- Standard SMILES
C=CCO[C@H]1CN(Cc2ccccc2)C[C@H]1Cc1cc(C)cc(-n2c(C)ccc2C)n1- InChIKey
VYCSLWXAFNGLKG-RSXGOPAZSA-N- Molecular formula
- C27H33N3O
- Average molar mass
- 415.6 g/mol
Names & identifiers
- Preferred name
- 2-(((3R,4R)-4-(Allyloxy)-1-benzylpyrrolidin-3-yl)methyl)-6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridine
- IUPAC
- 2-[[(3R,4R)-1-benzyl-4-prop-2-enoxypyrrolidin-3-yl]methyl]-6-(2,5-dimethylpyrrol-1-yl)-4-methylpyridine
Names & synonyms
SCHEMBL2774773VYCSLWXAFNGLKG-RSXGOPAZSA-N2-(((3R,4R)-4-(Allyloxy)-1-benzylpyrrolidin-3-yl)methyl)-6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridine
Database identifiers
- PubChem CID
- 44543307
- Nikkaji
- J2.802.016C
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 553
Related reactions
2 records
Compound notes
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