4H-Indol-4-one,1,5,6,7-tetrahydro-2-methyl- (35308-68-0)

The cas register number of 2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one is 35308-68-0. It also can be called as 4H-Indol-4-one, 1,5,6,7-tetrahydro-2-methyl- and the Systematic name about this chemical is 2-methyl-1,5,6,7-tetrahydro-4H-indol-4-one.

Physical properties about 2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one are: (1)ACD/LogP:  0.06 ; (2) # of Rule of 5 Violations:  0  ; (3)ACD/LogD (pH 5.5):  2  ; (4)ACD/LogD (pH 7.4):  2  ; (5)ACD/BCF (pH 5.5):  10; (6)ACD/BCF (pH 7.4):  10; (7)ACD/KOC (pH 5.5):  178; (8)ACD/KOC (pH 7.4):  178; (9)#H bond acceptors:  2; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  0; (12)Polar Surface Area:  32.86Ų; (13)Index of Refraction:  1.581; (14)Molar Refractivity:  42.428 cm³; (15)Molar Volume:  127.358 cm³; (16)Surface Tension:  49.257 dyne/cm; (17)Density:  1.171 g/cm³; (18)Flash Point:  161.582 °C; (19)Enthalpy of Vaporization:  57.288 kJ/mol; (20)Boiling Point:  330.314 °C at 760 mmHg; (21)Vapour Pressure:  0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C2c1c(nc(c1)C)CCC2
2.InChI: InChI=1/C9H11NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h5,10H,2-4H2,1H3 
3.InChIKey: HJIYEKHYUGHTAC-UHFFFAOYAK
4.Std. InChI: InChI=1S/C9H11NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h5,10H,2-4H2,1H3.