Compound Identification
SMILES
CN1[C@@H]([C@@H](O)C2=CC=C(Br)S2)[C@H](CC1=O)C1=CC=CC=C1
InChIKey
InChIKey=NIMTZKSGBLZWFL-LYRGGWFBSA-N
Formula
C16H16BrNO2S
Mass
366.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
2,5-disubstituted thiophenes Aryl bromides Pyrrolidine-2-ones Benzene and substituted derivatives N-alkylpyrrolidines Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Tertiary amines Amino acids and derivatives Secondary alcohols Lactams Azacyclic compounds Organobromides Carbonyl compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrolidine - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - N-alkylpyrrolidine - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Secondary alcohol - Amino acid or derivatives - Tertiary amine - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Aromatic alcohol - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available