1-Cyclopentyl-5-Nitro-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H11N3O4
IUPAC Name 1-cyclopentyl-5-nitro-pyrimidine-2,4-dione
Molecular Mass 225.201 g·mol−1
Heat of Formation -367.1 ± 16.7 kJ·mol−1
Dipole Moment 7.23 ± 1.08 D
Volume 246.04 Å 3
Surface Area 227.0 Å 2
HOMO Energy -10.45 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 1-cyclopentyl-5-nitro-pyrimidine-2,4-quinone
  • 1-cyclopentyl-5-nitropyrimidine-2,4-dione
  • 2,4(1h,3h)-pyrimidinedione, 1-cyclopentyl-5-nitro-
  • c-no2durd
  • n(1)-cyclopentyl-5-nitropyrimidine-2,4-dione
  • n-1-cyclopentyl-5-nitro-2,4-pyrimidinedione
CAS Number(s)
  • 137487-63-9
InChIKey MCEFQKMAFHXHKA-UHFFFAOYSA-N
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