CAS 104675-23-2

2-[(3-oxocyclohex-1-en-1-yl)amino]benzonitrile

Description:

2-[(3-oxocyclohex-1-en-1-yl)amino]benzonitrile, with the CAS number 104675-23-2, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a cyclohexenone derivative. This compound features a nitrile functional group (-C≡N) attached to a benzene ring, which contributes to its aromatic properties and potential reactivity. The presence of the amino group (-NH-) linked to a cyclohexenone structure suggests that it may exhibit both nucleophilic and electrophilic characteristics, making it a candidate for various chemical reactions, including substitution and addition reactions. Additionally, the cyclohexenone component may impart unique stereochemical properties and influence the compound's reactivity and interaction with biological systems. The compound's potential applications could span across pharmaceuticals, agrochemicals, or materials science, depending on its specific reactivity and biological activity. As with many organic compounds, its solubility, stability, and reactivity can be influenced by environmental conditions such as pH and temperature.

Formula: C₁₃H₁₂N₂O

InChI: InChI=1/C13H12N2O/c14-9-10-4-1-2-7-13(10)15-11-5-3-6-12(16)8-11/h1-2,4,7-8,15H,3,5-6H2

SMILES: c1ccc(c(c1)C#N)NC1=CC(=O)CCC1