CAS 898791-36-1

3-(Cyclopentylcarbonyl)benzonitrile

Description:

3-(Cyclopentylcarbonyl)benzonitrile, with the CAS number 898791-36-1, is an organic compound characterized by its structural features, which include a benzonitrile core substituted with a cyclopentylcarbonyl group at the meta position. This compound typically exhibits a solid state at room temperature and is likely to be relatively stable under standard conditions. The presence of the nitrile functional group (-C≡N) contributes to its polar nature, which can influence its solubility in various solvents, often making it more soluble in polar organic solvents. The cyclopentylcarbonyl moiety may impart unique steric and electronic properties, potentially affecting its reactivity and interactions in chemical reactions. Additionally, compounds like this can be of interest in medicinal chemistry and material science due to their potential biological activity and utility in synthesizing more complex molecules. As with many organic compounds, safety data should be consulted to understand its handling and toxicity profiles.

Formula: C₁₃H₁₃NO

InChI: InChI=1S/C13H13NO/c14-9-10-4-3-7-12(8-10)13(15)11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6H2

InChI key: InChIKey=DZSDRYMVLNIHQA-UHFFFAOYSA-N

SMILES: C(=O)(C1=CC(C#N)=CC=C1)C2CCCC2

Synonyms:

• 3-(Cyclopentylcarbonyl)benzonitrile
• Benzonitrile, 3-(cyclopentylcarbonyl)-