(3R,4S)-3-Hydroxy-2,2-Dimethyl-4-(2-Oxo-1-Pyrrolidinyl)-6-Chromanecarbonitrile

Molecule SVG Image

Properties Simple | Detailed

Formula C16H18N2O3
IUPAC Name (3r,4s)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromane-6-carbonitrile
Molecular Mass 286.326 g·mol−1
Heat of Formation -390.0 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 342.48 Å 3
Surface Area 294.89 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • ()-trans-6-cyano-3,4-dihydro-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-2h-1-benzopyran-3-ol
  • (+-)-trans-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-6-chromancarbonitrile
  • (3r,4s)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-6-chromancarbonitrile
  • (3r,4s)-3-hydroxy-4-(2-ketopyrrolidin-1-yl)-2,2-dimethyl-chroman-6-carbonitrile
  • 2h-1-benzopyran-6-carbonitrile, 3,4-dihydro-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-, trans-(+-)-
  • brl 34915
  • cromakalim [ban:inn]
  • cromakalimum [latin]
  • tocris-1377
  • tocris-1378
InChIKey TVZCRIROJQEVOT-LSDHHAIUSA-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