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

Molecule SVG Image

Properties Simple | Detailed

Formula C12H14N2O3++
IUPAC Name 1-[(1r,2r,5s)-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 -332.9 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 275.47 Å 3
Surface Area 251.47 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(1s,4r,5r)-1-(hydroxymethyl)-4-bicyclo[3.1.0]hex-2-enyl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(1s,4r,5r)-1-(hydroxymethyl)-4-bicyclo[3.1.0]hex-2-enyl]-5-methylpyrimidine-2,4-dione
  • 5-methyl-1-[(1s,4r,5r)-1-methylol-4-bicyclo[3.1.0]hex-2-enyl]pyrimidine-2,4-quinone
InChIKey QPYQVQQWMIJOQF-SBMIAAHKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N