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

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Properties Simple | Detailed

Formula C15H15N3O
IUPAC Name (3e,4s)-3-benzylidene-4-(3-methyl-4h-imidazol-3-ium-4-ylium-5-yl)pyrrolidin-2-one
Molecular Mass 253.299 g·mol−1
Heat of Formation 128.3 ± 16.7 kJ·mol−1
Dipole Moment 8.61 ± 1.08 D
Volume 312.83 Å 3
Surface Area 271.32 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-anantine
  • (3e,4s)-3-(benzylidene)-4-(1-methylimidazol-4-yl)-2-pyrrolidone
  • (3e,4s)-4-(1-methyl-4-imidazolyl)-3-(phenylmethylene)-2-pyrrolidinone
  • (3e,4s)-4-(1-methylimidazol-4-yl)-3-(phenylmethylene)pyrrolidin-2-one
  • (3e,4s)-4-(1-methylimidazol-4-yl)-3-(phenylmethylidene)pyrrolidin-2-one
  • 2-pyrrolidinone, 4-(1-methyl-1h-imidazol-4-yl)-3-(phenylmethylene)-, (3e,4s)-
  • 2-pyrrolidinone, 4-(1-methyl-1h-imidazol-4-yl)-3-(phenylmethylene)-, (s-(e))-
  • cynometra ananta alkaloid c
CAS Number(s)
  • 39368-46-2
InChIKey UKNFHVAQMUDAFF-BWODNOAJSA-N
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