1(2H)-Isoquinolinone,2-(1-methylethyl)-(9CI) (101712-97-4)

The systematic name of 2-Isopropyl-1(2H)-isoquinolinone is 2-(1-methylethyl)isoquinolin-1(2H)-one. With the CAS registry number 101712-97-4, it is also named as 1(2H)-Isoquinolinone,2-(1-methylethyl)-. The product's category is Quinolinone. In addition, its molecular formula is C₁₂H₁₃NO and its molecular weight is 187.24.

The other characteristics of 2-Isopropyl-1(2H)-isoquinolinone can be summarized as: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.16; (6)ACD/BCF (pH 7.4): 41.16; (7)ACD/KOC (pH 5.5): 498; (8)ACD/KOC (pH 7.4): 498; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 55.59 cm³; (15)Molar Volume: 169.2 cm³; (16)Polarizability: 22.03×10^-24cm³; (17)Surface Tension: 41.6 dyne/cm; (18)Density: 1.106 g/cm³; (19)Flash Point: 148.9 °C; (20)Enthalpy of Vaporization: 56.68 kJ/mol; (21)Boiling Point: 324.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00024 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC(C)N2/C=C\c1ccccc1C2=O
(2)InChI:InChI=1/C12H13NO/c1-9(2)13-8-7-10-5-3-4-6-11(10)12(13)14/h3-9H,1-2H3
(3)InChIKey:JOAKYORQSQTACM-UHFFFAOYAC