Basic information
- Standard SMILES
COc1cccc([C@@H]2CN(Cc3ccccc3)C[C@H]2C=O)c1- InChIKey
NHUURXOAFMPKLZ-HKUYNNGSSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
Names & identifiers
- Preferred name
- trans-1-Benzyl-4-(3-methoxyphenyl)pyrrolidine-3-carbaldehyde
- IUPAC
- (3S,4R)-1-benzyl-4-(3-methoxyphenyl)pyrrolidine-3-carbaldehyde
Names & synonyms
SCHEMBL1806028NHUURXOAFMPKLZ-HKUYNNGSSA-Ntrans-1-benzyl-4-(3-methoxyphenyl)pyrrolidine-3-carbaldehyde
Database identifiers
- PubChem CID
- 87294101
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 353
Related reactions
1 records
Compound notes
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