4-Piperidinone,3-methyl- (5773-58-0)

The 3-Methyl-4-piperidone with cas registry number of 5773-58-0, is also called 4-Piperidone,3-methyl- (6CI,7CI,8CI) ; 3-Methylpiperidin-4-one ; AKOS BC-0319 .

Physical properties of 3-Methyl-4-piperidone : (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 29.1 ?2; (11)Index of Refraction: 1.438; (12)Molar Refractivity: 31.245 cm3; (13)Molar Volume: 118.976 cm3; (14)Polarizability: 12.387 10-24cm3; (15)Surface Tension: 27.345 dyne/cm; (16)Enthalpy of Vaporization: 41.888 kJ/mol; (17)Vapour Pressure: 0.803 mmHg at 25°C .

You can still convert the following datas into molecular structure:(1)SMILES:O=C1CCNCC1C; (2)InChI:InChI=1/C6H11NO/c1-5-4-7-3-2-6(5)8/h5,7H,2-4H2,1H3; (3)InChIKey:KTWRIXHINMYODR-UHFFFAOYAS; (4)Std. InChI:InChI=1S/C6H11NO/c1-5-4-7-3-2-6(5)8/h5,7H,2-4H2,1H3; (5)Std. InChIKey:KTWRIXHINMYODR-UHFFFAOYSA-N.