4-Piperidinone,1-(2-propen-1-yl)- (20785-46-0)

The 1-Allyltetrahydro-4(1H)-pyridinone with the CAS number 20785-46-0 is also called 4-Piperidinone,1-(2-propen-1-yl)-. The systematic name is 1-(prop-2-en-1-yl)piperidin-4-one. Its molecular formula is C₈H₁₃NO. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 26.5; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.31 Å²; (12)Index of Refraction: 1.476; (13)Molar Refractivity: 40.44 cm³; (14)Polarizability: 16.03×10^-24cm³; (15)Surface Tension: 32.3 dyne/cm; (16)Enthalpy of Vaporization: 45.45 kJ/mol; (17)Vapour Pressure: 0.128 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCN(C\C=C)CC1
(2)InChI: InChI=1/C8H13NO/c1-2-5-9-6-3-8(10)4-7-9/h2H,1,3-7H2
(3)InChIKey: IFGPIJRMICXHER-UHFFFAOYAO