Compound Identification
SMILES
CC1C[C@@H](C[N+]1(C(O)=O)C(=O)CBr)SC1=CC=CC=C1
InChIKey
InChIKey=XJXJJWKHPQWVRP-YWFMTQBDSA-O
Formula
C14H17BrNO3S
Mass
359.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
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Subclass
Pyrrolidine carboxylic acids and derivatives
- Level 5 Pyrrolidine carboxylic acids
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Subclass
Pyrrolidine carboxylic acids and derivatives
-
Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidine carboxylic acids
Alternative Parents
Thiophenol ethers N-acylpyrrolidines Alkylarylthioethers Benzene and substituted derivatives Quaternary ammonium salts Carbamic acids and derivatives Sulfenyl compounds Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acylpyrrolidine - Aryl thioether - Pyrrolidine carboxylic acid - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Carbamic acid derivative - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Alkyl halide - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Alkyl bromide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available