5-Ethyl-5-(3-Methyl-2-Buten-1-Yl)-2,4,6(1H,3H,5H)-Pyrimidinetrione

Molecule SVG Image

Properties Simple | Detailed

Formula C11H16N2O3
IUPAC Name 5-ethyl-5-(3-methylbut-2-enyl)hexahydropyrimidine-2,4,6-trione
Molecular Mass 224.256 g·mol−1
Heat of Formation -616.0 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 274.29 Å 3
Surface Area 244.59 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 5-ethyl-5-(3'-methylbut-2'-enyl)barbituric acid
  • 5-ethyl-5-(3-methyl-2-butenyl)-2,4,6(1h,3h,5h)-pyrimidinetrione
  • 5-ethyl-5-(3-methyl-2-butenyl)barbituric acid
  • 5-ethyl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
  • 5-ethyl-5-(3-methylbut-2-enyl)barbituric acid
  • amobarbital m (oh, -h2o)
  • barbituric acid, 5-ethyl-5-(3-methyl-2-butenyl)-
InChIKey VDVCBHJNKZNXKT-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N