Methyl (1R,5S)-8-Methyl-8-Azabicyclo[3.2.1]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C10H15NO2
IUPAC Name methyl (1s,5r,8s)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate
Molecular Mass 181.232 g·mol−1
Heat of Formation -291.3 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 227.87 Å 3
Surface Area 213.29 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5r)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester
  • 8-azabicyclo(3.2.1)oct-2-ene-2-carboxylic acid, 8-methyl-, methyl ester, (1r)-
  • 8-azabicyclo(3.2.1)oct-2-ene-2-carboxylic acid, 8-methyl-, methyl ester, (1r,5s)-
  • anhydroecgonine methyl ester
  • anhydromethylecgonine
  • methyl (1s,5r)-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate
  • methylecgonidine
CAS Number(s)
  • 43021-26-7
InChIKey MPSNEAHFGOEKBI-VXNVDRBHSA-N
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