1-(3-Cyclopenten-1-Ylmethyl)-6-(3,5-Dimethylbenzoyl)-5-Ethyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C21H24N2O3++
IUPAC Name 1-(cyclopent-3-en-1-ylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione
Molecular Mass 352.427 g·mol−1
Heat of Formation -437.7 ± 16.7 kJ·mol−1
Dipole Moment 5.94 ± 1.08 D
Volume 427.22 Å 3
Surface Area 363.2 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1-cyclopent-3-enylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-dione
  • 1-(1-cyclopent-3-enylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethyl-pyrimidine-2,4-quinone
  • 1-(1-cyclopent-3-enylmethyl)-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione
  • 1-(1-cyclopent-3-enylmethyl)-6-(3,5-dimethylphenyl)carbonyl-5-ethyl-pyrimidine-2,4-dione
  • 1-(1-cyclopent-3-enylmethyl)-6-[(3,5-dimethylphenyl)-oxomethyl]-5-ethylpyrimidine-2,4-dione
  • 1-[(cyclopent-3-en-1-yl)methyl]-5-ethyl-6-(3,5-dimethylbenzoyl)-2,4-pyrimidinedione
  • sj-3366
  • sj-3366 & nab 2f5
  • sj-3366 & nab 2g12
InChIKey BEMROAADXJFLBI-UHFFFAOYSA-N
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