Compound Identification
SMILES
CC1=CC=C(C=C1)C(O)=C1C(N(C2=NC3=C(S2)C=C(C)C=C3)C(=O)C1=O)C1=CC=C(I)C=C1
InChIKey
InChIKey=UDRXQONNUJRXQY-UHFFFAOYSA-N
Formula
C26H19IN2O3S
Mass
566.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
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
Benzothiazoles Iodobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones N-acyl amines Alpha-branched alpha,beta-unsaturated ketones Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Enones Acryloyl compounds Lactams Isothioureas Cyclic ketones Vinyl iodides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Iodoalkenes Carboximidamides Azacyclic compounds Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - 1,3-benzothiazole - Iodobenzene - Halobenzene - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Alpha,beta-unsaturated ketone - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Enone - Azole - Acryloyl-group - Cyclic ketone - Lactam - Ketone - Isothiourea - Carboxamide group - Azacycle - Iodoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Vinyl iodide - Vinyl halide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic 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