1-[(1S,2S,5R)-5-(Hydroxymethyl)Bicyclo[3.1.0]Hex-3-En-2-Yl]-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Formula C12H14N2O3
IUPAC Name 1-[(1s,2s,5r)-5-(hydroxymethyl)-2-bicyclo[3.1.0]hex-3-enyl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 234.251 g·mol−1
Heat of Formation -344.8 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 274.79 Å 3
Surface Area 250.0 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(1r,4s,5s)-1-(hydroxymethyl)-4-bicyclo[3.1.0]hex-2-enyl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(1r,4s,5s)-1-(hydroxymethyl)-4-bicyclo[3.1.0]hex-2-enyl]-5-methylpyrimidine-2,4-dione
  • 2,4(1h,3h)-pyrimidinedione, 1-[(1s,2s,5r)-5-(hydroxymethyl)bicyclo[3.1.0]hex-3-en-2-yl]-5-methyl-
  • 5-methyl-1-[(1r,4s,5s)-1-methylol-4-bicyclo[3.1.0]hex-2-enyl]pyrimidine-2,4-quinone
  • n-mcd4t
InChIKey QPYQVQQWMIJOQF-VDDIYKPWSA-N
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