The 5-Methyl-2,4-piperidinedione, with CAS registry number 118263-96-0, has the systematic name of 5-methylpiperidine-2,4-dione. Besides this, it is also called 2,4-piperidinedione, 5-methyl-. And the chemical formula of this chemical is C6H9NO2.
Physical properties of 5-Methyl-2,4-piperidinedione: (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): 2.29; (5)ACD/KOC (pH 7.4): 2.29; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 46.17 Å2; (10)Index of Refraction: 1.455; (11)Molar Refractivity: 31.37 cm3; (12)Molar Volume: 115.4 cm3; (13)Polarizability: 12.43×10-24cm3; (14)Surface Tension: 33.2 dyne/cm; (15)Density: 1.101 g/cm3; (16)Flash Point: 172.7 °C; (17)Enthalpy of Vaporization: 58.12 kJ/mol; (18)Boiling Point: 337.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000102 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC(=O)C(C)CN1
(2)InChI: InChI=1/C6H9NO2/c1-4-3-7-6(9)2-5(4)8/h4H,2-3H2,1H3,(H,7,9)
(3)InChIKey: MZUKNEQMBPDXHO-UHFFFAOYAG
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