(3SR,4RS)-1-benzyl-3-(4-chloro-phenyl)-4-nitro-pyrrolidine

HCID 66940656

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

Related reactions

10 records

Compound notes

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