3-{5-[(Z)-(3-Ethyl-4-Methyl-5-Oxo-1,5-Dihydro-2H-Pyrrol-2-Ylidene)Methyl]-2,4-Dimethyl-1H-Pyrrol-3-Yl}Propanoic Acid

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Properties Simple | Detailed

Formula C17H22N2O3
IUPAC Name 3-[5-[(z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1h-pyrrol-3-yl]propanoic acid
Molecular Mass 302.368 g·mol−1
Heat of Formation -512.9 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 388.71 Å 3
Surface Area 342.91 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[5-[(z)-(3-ethyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-2,4-dimethyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[5-[(z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[5-[(z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2,4-dimethyl-1h-pyrrol-3-yl]propanoic acid
  • 3-[5-[(z)-(3-ethyl-5-keto-4-methyl-3-pyrrolin-2-ylidene)methyl]-2,4-dimethyl-1h-pyrrol-3-yl]propionic acid
  • 5-((3-ethyl-1,5-dihydro-4-methyl-5-oxo-2h-pyrrol-2-ylidene)methyl)-2,4-dimethyl-1h-pyrrole-3-propanoic acid
  • xanthobilirubic acid
CAS Number(s)
  • 15770-19-1
InChIKey NDNYWGGIUJBYPM-NVNXTCNLSA-N
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