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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 71668898Generated: November 4, 2026

1-(4-Bromophenyl)-3-(prop-2-yn-1-ylamino)pyrrolidine-2,5-dione

MFCD22689482 · 1-(4-bromophenyl)-3-(prop-2-ynylamino)pyrrolidine-2,5-dione · 1-(4-bromophenyl)-3-(prop-2-yn-1-ylamino)pyrrolidine-2,5-dione · 2,5-Pyrrolidinedione, 1-(4-bromophenyl)-3-(2-propyn-1-ylamino)-

https://huagongshe.com/en/chemical/71668898

1-(4-Bromophenyl)-3-(prop-2-yn-1-ylamino)pyrrolidine-2,5-dione molecular structure

Identifiers & Physical Properties

CAS No.1415719-05-9
Molecular formulaC13H11BrN2O2
Average molar mass307.14 g/mol
Monoisotopic mass306.00039 g/mol
SMILESC#CCNC1CC(=O)N(c2ccc(Br)cc2)C1=O
InChIKeyQKRHYZYBAVDFHS-UHFFFAOYSA-N
PubChem CID71668898
DTXSIDDTXSID001174000

Chemical & Physical Properties

XLogP1.2
Topological polar surface area49.4
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds3
Heavy atoms18
Formal charge0
Complexity393
Boiling point538.1±50.0 °C(Predicted)
Density1.59±0.1 g/cm3(Predicted)
pKa (acidity coefficient)4.61±0.20(Predicted)