(3Z)-3-[5-(5-Hydroxy-1H-Indol-3-Yl)-2-Oxo-1,2-Dihydro-3H-Pyrrol-3-Ylidene]-1,3-Dihydro-2H-Indol-2-One

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Properties Simple | Detailed

Formula C20H13N3O3
IUPAC Name (3z)-3-[5-(5-hydroxyindol-1-ium-3-yl)-2-oxo-1h-pyrrol-3-ylidene]indolin-2-one
Molecular Mass 343.336 g·mol−1
Heat of Formation -32.5 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 374.17 Å 3
Surface Area 338.94 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 2-indolinone, 3-(2-(5-hydroxyindol-3-yl)-5-oxo-2-pyrrolin-4-ylidene)-
  • 3-(2-(5-hydroxyindol-3-yl)-5-oxo-2-pyrrolin-4-ylidene)-2-indolinone
  • oxindole, 3-(2-(5-hydroxyindol-3-yl)-5-oxo-2-pyrrolin-4-ylidene)- (6ci)
  • violacein
CAS Number(s)
  • 548-54-9
InChIKey XAPNKXIRQFHCHN-AQTBWJFISA-N
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