CAS 1146290-24-5

1-(1,3-Benzodioxol-5-yl)cycloheptanecarbonitrile

Description:

1-(1,3-Benzodioxol-5-yl)cycloheptanecarbonitrile, identified by its CAS number 1146290-24-5, is a chemical compound characterized by its unique structure that combines a cycloheptane ring with a benzodioxole moiety and a nitrile functional group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, which can influence its reactivity and solubility. The presence of the nitrile group suggests potential for polar interactions, while the benzodioxole structure may contribute to its stability and potential for π-π stacking interactions. Such compounds are often of interest in medicinal chemistry due to their potential biological activity, including effects on various biological pathways. Additionally, the compound's molecular structure may allow for diverse synthetic modifications, making it a candidate for further research in drug development or material science. As with many organic compounds, its physical properties, such as melting point, boiling point, and solubility, would need to be determined experimentally for specific applications.

Formula: C₁₅H₁₇NO₂

InChI: InChI=1S/C15H17NO2/c16-10-15(7-3-1-2-4-8-15)12-5-6-13-14(9-12)18-11-17-13/h5-6,9H,1-4,7-8,11H2

InChI key: InChIKey=CTHNQVMHJFNHSH-UHFFFAOYSA-N

SMILES: C(#N)C1(CCCCCC1)C=2C=C3C(=CC2)OCO3

Synonyms:

• Cycloheptanecarbonitrile, 1-(1,3-benzodioxol-5-yl)-
• 1-(1,3-Benzodioxol-5-yl)cycloheptanecarbonitrile