2,3,5-Piperazinetrione, 6-[[2-(1,1-Dimethylallyl)-6-(3-Methyl-2-Butenyl)Indol-3-Yl]Methylene]-

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Formula C23H25N3O3
IUPAC Name (6z)-6-[[2-(1,1-dimethylallyl)-6-(3-methylbut-2-enyl)indol-1-ium-2-ylium-3-yl]methylene]piperazine-2,3,5-trione
Molecular Mass 391.463 g·mol−1
Heat of Formation -280.2 ± 16.7 kJ·mol−1
Dipole Moment 6.44 ± 1.08 D
Volume 488.12 Å 3
Surface Area 407.47 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (6z)-6-[[2-(1,1-dimethylprop-2-enyl)-6-(3-methylbut-2-enyl)-1h-indol-3-yl]methylene]piperazine-2,3,5-trione
  • (6z)-6-[[2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1h-indol-3-yl]methylidene]piperazine-2,3,5-trione
  • neoechinulin
  • piperazinetrione, ((2-(1,1-dimethyl-2-propenyl)-6-(3-methyl-2-butenyl)-1h-indol-3-yl)methylene)-, (z)-
CAS Number(s)
  • 25644-25-1
InChIKey UMQMXLLNFXQTIE-PDGQHHTCSA-N
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