(3E,4S)-3-Benzylidene-4-(1-Methyl-1H-Imidazol-5-Yl)-2-Pyrrolidinone

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Properties Simple | Detailed

Formula C15H15N3O
IUPAC Name (3e,4s)-3-benzylidene-4-(3-methylimidazol-3-ium-4-ylium-4-yl)pyrrolidin-2-one
Molecular Mass 253.299 g·mol−1
Heat of Formation 114.7 ± 16.7 kJ·mol−1
Dipole Moment 6.88 ± 1.08 D
Volume 307.81 Å 3
Surface Area 258.23 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-isoanantine
  • (3e,4s)-3-(benzylidene)-4-(3-methylimidazol-4-yl)-2-pyrrolidone
  • (3e,4s)-4-(3-methyl-4-imidazolyl)-3-(phenylmethylene)-2-pyrrolidinone
  • (3e,4s)-4-(3-methylimidazol-4-yl)-3-(phenylmethylene)pyrrolidin-2-one
  • (3e,4s)-4-(3-methylimidazol-4-yl)-3-(phenylmethylidene)pyrrolidin-2-one
  • 2-pyrrolidinone, 4-(1-methyl-1h-imidazol-5-yl)-3-(phenylmethylene)-, (3e,4s)-
  • 2-pyrrolidinone, 4-(1-methyl-1h-imidazol-5-yl)-3-(phenylmethylene)-, (s-(e))-
  • isoanantine
CAS Number(s)
  • 50656-85-4
InChIKey YLXDIVCOVKNCAO-BWODNOAJSA-N
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