(2E)-3-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2H)-Yl)Prop-2-Enal

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Properties Simple | Detailed

Formula C8H8N2O3++
IUPAC Name (e)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)prop-2-enal
Molecular Mass 180.161 g·mol−1
Heat of Formation -384.6 ± 16.7 kJ·mol−1
Dipole Moment 1.46 ± 1.08 D
Volume 204.47 Å 3
Surface Area 204.72 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(2,4-diketo-5-methyl-pyrimidin-1-yl)acrolein
  • (e)-3-(5-methyl-2,4-dioxo-1-pyrimidinyl)prop-2-enal
  • (e)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)prop-2-enal
  • (e)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enal
  • 2-propenal, 3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2h)-pyrimidinyl)-
  • 3-(thymin-1'-yl)-2-propenal
  • thymine-n(1)-2-propenal
CAS Number(s)
  • 85394-19-0
InChIKey CDPXAPVOBNKPPD-NSCUHMNNSA-N
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