(±)-Trans-3-Ethyl-1,4A,5,6,7,8,8A,9-Octahydro-2,6-Dimethyl-4H-Pyrrolo[2,3-G]Isoquinolin-4-One

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Formula C15H22N2O
IUPAC Name (4as,6r,8as)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydropyrrolo[2,3-g]isoquinolin-1-ium-9a-ylium-4-one
Molecular Mass 246.348 g·mol−1
Heat of Formation -170.8 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 317.38 Å 3
Surface Area 280.9 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,8as)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1h-pyrido[3,4-f]indol-4-one
  • 4h-pyrrolo(2,3-g)isoquinolin-4-one, 3-ethyl-1,4a,5,6,7,8,8a,9-octahydro-2,6-dimethyl-, trans-(+-)-
  • piquindona [spanish]
  • piquindone
  • piquindonum [latin]
  • ro-221319
CAS Number(s)
  • 78541-97-6
InChIKey PVZMYDPRVUCJKV-CMPLNLGQSA-N
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