N-[(1S,5S,6S)-5-Hydroxy-2-Oxo-7-Oxabicyclo[4.1.0]Hept-3-En-3-Yl]Acetamide

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Properties Simple | Detailed

Formula C8H9NO4
IUPAC Name n-[(1s,2s,6s)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]acetamide
Molecular Mass 183.161 g·mol−1
Heat of Formation -492.4 ± 16.7 kJ·mol−1
Dipole Moment 2.25 ± 1.08 D
Volume 200.98 Å 3
Surface Area 198.35 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • acetamide, n-(4-hydroxy-5-oxo-7-oxabicyclo(4.1.0)hept-3-en-2-yl)-, (r-(r*,s*-(e)))-
  • ll c10037alpha
  • ll-c 10037alpha
  • ll-c10037alpha
  • n-[(1s,2s,6s)-2-hydroxy-5-keto-7-oxabicyclo[4.1.0]hept-3-en-4-yl]acetamide
  • n-[(1s,2s,6s)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]acetamide
  • n-[(1s,2s,6s)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]ethanamide
CAS Number(s)
  • 93752-54-6
InChIKey ROYHAMHLVIVHPH-APQOSEDMSA-N
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