CAS 874496-80-7

4-Oxo-3-pyrrolidinecarbonitrile

Description:

4-Oxo-3-pyrrolidinecarbonitrile, identified by its CAS number 874496-80-7, is a chemical compound characterized by its pyrrolidine ring structure, which is a five-membered cyclic amine. The presence of a carbonitrile group (-C≡N) and a ketone functional group (4-oxo) contributes to its reactivity and potential applications in organic synthesis. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar organic solvents due to the polar nature of the carbonitrile and ketone groups. Its molecular structure suggests potential for various chemical reactions, including nucleophilic additions and cycloadditions, making it of interest in medicinal chemistry and materials science. The compound's properties, such as melting point, boiling point, and specific reactivity, would depend on its purity and the conditions under which it is handled. As with many nitrogen-containing heterocycles, it may also exhibit biological activity, warranting further investigation for potential pharmaceutical applications.

Formula: C₅H₆N₂O

InChI: InChI=1S/C5H6N2O/c6-1-4-2-7-3-5(4)8/h4,7H,2-3H2

InChI key: InChIKey=GZQKFRIFSJKMBU-UHFFFAOYSA-N

SMILES: C(#N)C1C(=O)CNC1

Synonyms:

• 4-Oxo-3-pyrrolidinecarbonitrile
• 3-Pyrrolidinecarbonitrile, 4-oxo-