(5S,6R)-6-[(8As)-1,2,3,5,6,8A-Hexahydro-8-Indolizinylcarbonyl]-5-Methyl-2-Cyclohexen-1-One

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Formula C16H21NO2
IUPAC Name (5s,6r)-6-[(4r,8as)-1,2,3,5,6,8a-hexahydroindolizine-8-carbonyl]-5-methyl-cyclohex-2-en-1-one
Molecular Mass 259.343 g·mol−1
Heat of Formation -246.9 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 327.65 Å 3
Surface Area 278.87 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (5s,6r)-6-[(8as)-1,2,3,5,6,8a-hexahydroindolizine-8-carbonyl]-5-methyl-cyclohex-2-en-1-one
  • (5s,6r)-6-[(8as)-1,2,3,5,6,8a-hexahydroindolizine-8-carbonyl]-5-methylcyclohex-2-en-1-one
  • (5s,6r)-6-[[(8as)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]-oxomethyl]-5-methyl-1-cyclohex-2-enone
  • (5s,6r)-6-[[(8as)-1,2,3,5,6,8a-hexahydroindolizin-8-yl]carbonyl]-5-methyl-cyclohex-2-en-1-one
InChIKey FKYCJVGMJYUVIJ-CORIIIEPSA-N
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