≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CN(CCN1CC=CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Br |
|---|---|
| IUPAC Name | 1-(4-bromophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione |
| InChIKey | LRCQSTRQSRMNHA-QPJJXVBHSA-N |
| INCHI | 1S/C23H24BrN3O2/c24-19-8-10-20(11-9-19)27-22(28)17-21(23(27)29)26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11,21H,12-17H2/b7-4+ |
| Isomeric SMILES | C1CN(CCN1C/C=C/C2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)Br |
| PubChem CID | 5285474 |
| Molecular Weight | 454.37 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Alpha amino acids and derivatives Styrenes Bromobenzenes N-alkylpiperazines Pyrrolidine-2-ones Aryl bromides N-substituted carboxylic acid imides Pyrroles Dicarboximides Trialkylamines Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organobromides Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-phenylpyrrolidine - Alpha-amino acid or derivatives - Styrene - Halobenzene - Bromobenzene - N-alkylpiperazine - 1,4-diazinane - Carboxylic acid imide, n-substituted - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Piperazine - Pyrrolidone - 2-pyrrolidone - Benzenoid - Dicarboximide - Carboxylic acid imide - Pyrrole - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Lactam - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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 |
| Molecular Weight | 454.400 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 453.105 Da |
| Monoisotopic Mass | 453.105 Da |
| Topological Polar Surface Area | 43.900 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 603.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
![1-(4-bromophenyl)-3-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}pyrrolidine-2,5-dione - ≥90% CAS No(300730-75-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/9/B970066.jpg)