Geometrical isomerism and conformational charges of selected open-ring enaminones in its neutral and protonated forms

Enaminones are chemical compounds consisting of an amino group linked through a CC to a carbonyl group. They combine the ambident nucleophility of enamines with the ambident electrophility of enones. Open-ring enaminones probed to be excellent prodrugs of model primary amines because their transportation ability trough biological membranes, while some cyclic enaminones have been reported as effective anti-epiletic agents. Selected open-ring enaminones, has been subjected to quantum chemical studies with the assumption that their flexibility wills allow more precise complexation with the corresponding receptor. Various conformers were investigated in a search for structural coincidences with the anti-convulsants cyclic enaminones.