Methyl (1R,2R,3S,5S)-8-Methyl-3-{[(2E)-3-Phenyl-2-Propenoyl]Oxy}-8-Azabicyclo[3.2.1]Octane-2-Carboxylate

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Properties Simple | Detailed

Formula C19H23NO4
IUPAC Name methyl (1s,3s,4r,5r,8s)-8-methyl-3-[(e)-3-phenylprop-2-enoyl]oxy-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 329.390 g·mol−1
Heat of Formation -555.4 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 403.44 Å 3
Surface Area 352.8 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3s,5s)-8-methyl-3-[(e)-1-oxo-3-phenylprop-2-enoxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • (1r,2r,3s,5s)-8-methyl-3-[(e)-3-phenylacryloyl]oxy-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 8-methyl-3-((1-oxo-3-phenyl-2-propenyl)oxy)-, methyl ester, (1r-(exo,exo))-
  • methyl (1r,2r,3s,5s)-8-methyl-3-[(e)-3-phenylprop-2-enoyl]oxy-8-azabicyclo[3.2.1]octane-2-carboxylate
InChIKey MQIXMJWNEKUAOZ-UYCDZTDFSA-N
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