1-Acetyl-2-imidazolone (67908-96-7)

With the CAS registry number 67908-96-7, the systematic name of 1-Acetyl-2-imidazolone is 1-acetyl-1,3-dihydro-2H-imidazol-2-one. In addition, its molecular formula is C₅H₆N₂O₂ and molecular weight is 126.11.

The other characteristics of 1-Acetyl-2-imidazolone can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 6.72; (5)ACD/KOC (pH 7.4): 6.71; (6)H bond acceptors: 4; (7)H bond donors: 1; (8)Freely Rotating Bonds: 0; (9)Nominal mass: 126; (10)Average mass: 126.1133; (11)Monoisotopic mass: 126.042927; (12)Polar Surface Area: 49.41 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 29.68 cm³; (15)Molar Volume: 96.8 cm³; (16)Polarizability: 11.76×10^-24cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.302 g/cm³.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC(=O)N1/C=C\NC1=O
(2)InChI:InChI=1/C5H6N2O2/c1-4(8)7-3-2-6-5(7)9/h2-3H,1H3,(H,6,9)
(3)InChIKey:GJGZXGAHWVHMME-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C5H6N2O2/c1-4(8)7-3-2-6-5(7)9/h2-3H,1H3,(H,6,9)
(5)Std. InChIKey:GJGZXGAHWVHMME-UHFFFAOYSA-N