An in silico route to stable enols

Computational studies of keto-enol tautomerism of molecules bearing carbon-carbon double bonds at β-position to CO group were carried out at B3LYP/apVDZ level of theory. Energies are reported at MP2/apVDZ level of theory. Computations showed that if quinanoid like ring structures are present at the β-position of a CO group, enols are more stable than the corresponding keto-tautomers. Theoretical studies of molecules exhibiting stable enols forms have been reported.