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

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Formula C8H9NO4
IUPAC Name n-[(1r,2s,6r)-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 -483.8 ± 16.7 kJ·mol−1
Dipole Moment 0.85 ± 1.08 D
Volume 201.52 Å 3
Surface Area 199.87 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1r,2s,6r)-2-hydroxy-5-keto-7-oxabicyclo[4.1.0]hept-3-en-4-yl]acetamide
  • n-[(1r,2s,6r)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]acetamide
  • n-[(1r,2s,6r)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-4-yl]ethanamide
InChIKey ROYHAMHLVIVHPH-ARDNSNSESA-N
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