3-Morpholino-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one (503615-03-0)

With the CAS registry number 503615-03-0, the systematic name of 3-Morpholino-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one is 3-(morpholin-4-yl)-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one. In addition, its molecular formula is C₁₅H₁₇N₃O₄ and its molecular weight is 303.3132.

The other characteristics of 3-Morpholino-1-(4-nitrophenyl)-5,6-dihydropyridin-2(1H)-one can be summarized as: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 190; (8)ACD/KOC (pH 7.4): 191; (9)H bond acceptors: 7; (10)H bond donors: 0; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 78.6 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 79.007 cm³; (15)Molar Volume: 223.537 cm³; (16)Polarizability: 31.321×10^-24cm³; (17)Surface Tension: 60.869 dyne/cm; (18)Density: 1.357 g/cm³; (19)Flash Point: 260.141 °C; (20)Enthalpy of Vaporization: 77.644 kJ/mol; (21)Boiling Point: 506.532 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=N(=O)c1ccc(cc1)N2CC\C=C(/C2=O)N3CCOCC3
(2)InChI:InChI=1/C15H17N3O4/c19-15-14(16-8-10-22-11-9-16)2-1-7-17(15)12-3-5-13(6-4-12)18(20)21/h2-6H,1,7-11H2
(3)InChIKey:LBFAEOWNWSDWRZ-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C15H17N3O4/c19-15-14(16-8-10-22-11-9-16)2-1-7-17(15)12-3-5-13(6-4-12)18(20)21/h2-6H,1,7-11H2
(5)Std. InChIKey:LBFAEOWNWSDWRZ-UHFFFAOYSA-N