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RISEffect of substitution on the intramolecular hydrogen bonding of 4-amino-3-penten-2-one: Ab initio,
Effect of substitution on the intramolecular hydrogen bonding of 4-amino-3-penten-2-one: Ab initio,...
Conformations, molecular structure, and N–H⋯O hydrogen bond strength in 4-Alkylamino-3-penten-2-ones
chemical shifts, geometrical parameters, natural bond orders, vibrational frequencies, and the natural charges over atoms involved in the chelated ring of 4-amino-3-penten-2-one (APO) and its derivatives were calculated. The Wiberg bond orders...
Intramolecular hydrogen bond strength of 3-methyl-4-amino-3-penten-2-one, an experimental approach
The intramolecular hydrogen bonding of 3-methyl-4-amino-3-penten-2-one, 3-MeAPO, has been investigated by experimental results, including NMR, IR, and UV spectra. According to 1H-NMR spectrum, the titled molecule is as a keto-amine form...
Tautomerism, molecular structure, intramolecular hydrogen bond, and tautomery equilibrium of α-methyl and ethyl substituted 4-amino-3-penten-2-one; A theoretical study
one, APO. ,-Unsaturated--ketoenamines, are capable to exist in three different tautomers at equilibrium, i.e., iminoketone, aminoketone, and iminoenol forms, see Fig. 1. The structure of all iminoketone, aminoketone, ...
Molecular Structure and Intramolecular hydrogen bonding of 4-phenyliamino-3-penten-2-one and its para substitutions
,-unsaturated--ketoamines are capable of forming an N-H…O asymmetric intramolecular hydrogen bond. The 4-amino-3-penten-2-one has an N-H…O intramolecular hydrogen bond. Furthermore this compound is capable of forming tautomeric equilibria between...
Molecular structure and intramolecular hydrogen bond strength of 3-methyl-4-amino-3-penten-2-one and its NMe and N-Ph substitutions by experimental and theoretical methods
In the present work, molecular structures and intramolecular hydrogen bonding -IHB- of 3-methyl-4-amino-3-penten-2-one, 3-MeAPO, 3-methyl-4-methylamino-3-penten-2-one, 3-Me-MeAPO, and the 3-methyl-4-phenylamino-3-penten-2-one, 3-Me-PhAPO have been...