CAS 786728-93-6

2-Chloro-1-[2,5-dimethyl-1-(1-methylethyl)-1H-pyrrol-3-yl]ethanone

Description:

2-Chloro-1-[2,5-dimethyl-1-(1-methylethyl)-1H-pyrrol-3-yl]ethanone, with the CAS number 786728-93-6, is a synthetic organic compound characterized by its unique structural features. It contains a chloro group and a ketone functional group, which contribute to its reactivity and potential applications in organic synthesis. The presence of a pyrrole ring, substituted with both methyl and isopropyl groups, indicates that it may exhibit interesting biological activities, possibly related to its interaction with various biological targets. This compound is likely to be a solid or liquid at room temperature, depending on its specific molecular interactions. Its molecular structure suggests potential uses in pharmaceuticals or agrochemicals, although specific applications would depend on further research into its properties and biological effects. Safety data and handling precautions should be consulted, as with any chemical substance, to ensure safe usage in laboratory or industrial settings.

Formula: C₁₁H₁₆ClNO

InChI: InChI=1S/C11H16ClNO/c1-7(2)13-8(3)5-10(9(13)4)11(14)6-12/h5,7H,6H2,1-4H3

InChI key: InChIKey=NAGJNVGLKPVFTG-UHFFFAOYSA-N

SMILES: C(CCl)(=O)C1=C(C)N(C(C)C)C(C)=C1

Synonyms:

• Ethanone, 2-chloro-1-[2,5-dimethyl-1-(1-methylethyl)-1H-pyrrol-3-yl]-
• 2-Chloro-1-[2,5-dimethyl-1-(1-methylethyl)-1H-pyrrol-3-yl]ethanone