CAS 955117-27-8

Hexahydro-5-(phenylmethyl)-1,5-diazocin-2(1H)-one

Description:

Hexahydro-5-(phenylmethyl)-1,5-diazocin-2(1H)-one, identified by its CAS number 955117-27-8, is a chemical compound that belongs to the class of diazocins, which are characterized by a six-membered ring containing two nitrogen atoms. This compound features a saturated hexahydro structure, indicating that it has a fully saturated ring system, which contributes to its stability and reactivity. The presence of a phenylmethyl group enhances its potential for various interactions, making it of interest in medicinal chemistry and organic synthesis. The functional group of the amide (indicated by the "one" in its name) suggests that it may exhibit properties typical of amides, such as hydrogen bonding capabilities. The compound's unique structure may influence its biological activity, solubility, and overall chemical behavior. As with many organic compounds, its properties can be further explored through techniques such as NMR spectroscopy, mass spectrometry, and crystallography to understand its potential applications in pharmaceuticals or materials science.

Formula: C₁₃H₁₈N₂O

InChI: InChI=1S/C13H18N2O/c16-13-7-10-15(9-4-8-14-13)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,14,16)

InChI key: InChIKey=HEMPCWKNINDOHY-UHFFFAOYSA-N

SMILES: C(N1CCC(=O)NCCC1)C2=CC=CC=C2

Synonyms:

• 1,5-Diazocin-2(1H)-one, hexahydro-5-(phenylmethyl)-
• Hexahydro-5-(phenylmethyl)-1,5-diazocin-2(1H)-one