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CAS 1272755-93-7

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2-(6-Oxo-5,8-diazaspiro[3.4]oct-7-yl)benzonitrile

Description:
2-(6-Oxo-5,8-diazaspiro[3.4]oct-7-yl)benzonitrile is a chemical compound characterized by its unique spirocyclic structure, which incorporates both nitrogen atoms and a carbonyl group. The presence of the spiro system indicates a complex three-dimensional arrangement, contributing to its potential biological activity. The benzonitrile moiety suggests that the compound may exhibit properties associated with aromatic compounds, such as stability and the ability to participate in electrophilic aromatic substitution reactions. The oxo group enhances the compound's reactivity, potentially allowing for further functionalization. Additionally, the diaza component implies that the compound may engage in hydrogen bonding, influencing its solubility and interaction with biological targets. Overall, this compound may possess interesting pharmacological properties, making it a candidate for further research in medicinal chemistry. However, specific data regarding its physical properties, such as melting point, solubility, and spectral characteristics, would require experimental determination or literature references for comprehensive understanding.
Formula:C13H13N3O
InChI:InChI=1S/C13H13N3O/c14-8-9-4-1-2-5-10(9)11-12(17)16-13(15-11)6-3-7-13/h1-2,4-5,11,15H,3,6-7H2,(H,16,17)
InChI key:InChIKey=ZSUXXSXUSAHYAS-UHFFFAOYSA-N
SMILES:O=C1NC2(NC1C3=C(C#N)C=CC=C3)CCC2
Synonyms:
  • 2-(6-Oxo-5,8-diazaspiro[3.4]oct-7-yl)benzonitrile
  • Benzonitrile, 2-(6-oxo-5,8-diazaspiro[3.4]oct-7-yl)-
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