5-(1-Cyclohexen-1-Ylmethyl)-2,4,6(1H,3H,5H)-Pyrimidinetrione

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Properties Simple | Detailed

Formula C11H14N2O3
IUPAC Name 5-(cyclohexen-1-ylmethyl)hexahydropyrimidine-2,4,6-trione
Molecular Mass 222.240 g·mol−1
Heat of Formation -565.1 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 261.38 Å 3
Surface Area 236.06 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-(1-cyclohexen-1-yl)-5-methyl-
  • 5-(1-cyclohexen-1-yl)-5-methyl-2,4,6(1h,3h,5h)-pyrimidinetrione
  • 5-(1-cyclohexenylmethyl)-1,3-diazinane-2,4,6-trione
  • 5-(1-cyclohexenylmethyl)barbituric acid
  • 5-(1-cyclohexenylmethyl)hexahydropyrimidine-2,4,6-trione
  • norhexobarbital
CAS Number(s)
  • 114833-89-5
  • 718-67-2
InChIKey KGANTANPQNMAFV-UHFFFAOYSA-N
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