Basic information
- Standard SMILES
O=[N+]([O-])C1CN(Cc2ccccc2)CC1c1ccc(Cl)cc1- InChIKey
YRIUBCGITJNHRE-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O2
- Average molar mass
- 316.8 g/mol
Names & identifiers
- Preferred name
- (3SR,4RS)-1-benzyl-3-(4-chloro-phenyl)-4-nitro-pyrrolidine
- IUPAC
- 1-benzyl-3-(4-chlorophenyl)-4-nitropyrrolidine
Names & synonyms
SCHEMBL1202867YRIUBCGITJNHRE-UHFFFAOYSA-N1-benzyl-3-(4-chlorophenyl)-4-nitropyrrolidineF1911-4420(3SR,4RS)-1-benzyl-3-(4-chloro-phenyl)-4-nitro-pyrrolidine(3SR,4SR)-1-Benzyl-3-(4-chloro-phenyl)-4-nitro-pyrrolidinerac-(3R,4S)-1-Benzyl-3-(4-chloro-phenyl)-4-nitro-pyrrolidine
Database identifiers
- PubChem CID
- 66940656
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Related reactions
10 records
Compound notes
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