3-(4-Cyano-2-Oxobutylideneamino)-2-Oxazolidone

Molecule SVG Image

Properties Simple | Detailed

Formula C8H9N3O3
IUPAC Name (5e)-4-oxo-5-(2-oxooxazolidin-3-yl)imino-pentanenitrile
Molecular Mass 195.175 g·mol−1
Heat of Formation -219.8 ± 16.7 kJ·mol−1
Dipole Moment 8.22 ± 1.08 D
Volume 228.62 Å 3
Surface Area 227.35 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • (5e)-4-keto-5-(2-ketooxazolidin-3-yl)imino-valeronitrile
  • (5e)-4-oxo-5-(2-oxooxazolidin-3-yl)imino-pentanenitrile
  • (5e)-4-oxo-5-[(2-oxo-1,3-oxazolidin-3-yl)imino]pentanenitrile
  • (5e)-4-oxo-5-[(2-oxo-3-oxazolidinyl)imino]pentanenitrile
  • 3-(4-cyano-2-oxobutylideneamino)-2-oxazolidinone
  • cobao
  • pentanenitrile, 4-oxo-5-((2-oxo-3-oxazolidinyl)imino)-
CAS Number(s)
  • 69094-15-1
InChIKey GYCZNUWWKOYJHU-UXBLZVDNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N