{(1R)-1-[(3-Methyl-2-Butenoyl)Oxy]-2,3-Dihydro-1H-Pyrrolizin-7-Yl}Methyl 3-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C18H23NO4
IUPAC Name [(7r)-7-(3-methylbut-2-enoyloxy)-6,7-dihydro-5h-pyrrolizin-4-ium-8-ylium-1-yl]methyl 3-methylbut-2-enoate
Molecular Mass 317.380 g·mol−1
Heat of Formation -609.6 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 400.29 Å 3
Surface Area 324.36 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butenoic acid, 3-methyl-, 2,3-dihydro-7-(((3-methyl-1-oxo-2-butenyl)oxy)methyl)-1h-pyrrolizin-1-yl ester, (r)-
  • 3-methylbut-2-enoic acid [(7r)-7-(3-methyl-1-oxobut-2-enoxy)-6,7-dihydro-5h-pyrrolizin-1-yl]methyl ester
  • 3-methylbut-2-enoic acid [(7r)-7-(3-methylbut-2-enoyloxy)-6,7-dihydro-5h-pyrrolizin-1-yl]methyl ester
  • [(7r)-7-(3-methylbut-2-enoyloxy)-6,7-dihydro-5h-pyrrolizin-1-yl]methyl 3-methylbut-2-enoate
  • disenecioyldehydroretronecine
CAS Number(s)
  • 59845-50-0
InChIKey XZUVIHKTORWSNQ-OAHLLOKOSA-N
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