(2E)-2-Methyl-4-[(3Ar,8Ar)-1-Methyl-2,3,8,8A-Tetrahydropyrrolo[2,3-B]Indol-3A(1H)-Yl]-2-Buten-1-Ol

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Properties Simple | Detailed

Formula C16H22N2O
IUPAC Name (e)-4-[(3s,3ar,8br)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-2-methyl-but-2-en-1-ol
Molecular Mass 258.359 g·mol−1
Heat of Formation -86.2 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 338.6 Å 3
Surface Area 273.96 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-[(3ar,8br)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-2-methyl-but-2-en-1-ol
  • 2-buten-1-ol, 2-methyl-4-(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1h)-yl)-, (3as-(3aalpha(e),8aalpha))-
  • 2-methyl-4-(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1h)-yl)-2-buten-1-ol (3as-(3aalpha(e),8aalpha))-
CAS Number(s)
  • 113056-55-6
InChIKey YUFJTBNXHFFQKN-PWEFJHHISA-N
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