1H-Indole-7-carbonitrile,1-acetyl-5-(2-aminopropyl)-2,3-dihydro- (175837-01-1)

The 1-Acetyl-5-(2-aminopropyl)-2,3-dihydro-1H-indole-7-carbonitrile is an organic compound with the formula C₁₄H₁₇N₃O. With the CAS registry number 175837-01-1, the systematic name of this chemical is 1-acetyl-5-(2-aminopropyl)-2,3-dihydro-1H-indole-7-carbonitrile.

Physical properties about 1-Acetyl-5-(2-aminopropyl)-2,3-dihydro-1H-indole-7-carbonitrile are: (1)ACD/LogP: 0.79; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 70.12 Å²; (10)Index of Refraction: 1.598; (11)Molar Refractivity: 69.27 cm³; (12)Molar Volume: 202.9 cm³; (13)Polarizability: 27.46×10^-24cm³; (14)Surface Tension: 57 dyne/cm; (15)Density: 1.19 g/cm³; (16)Flash Point: 255.3 °C; (17)Enthalpy of Vaporization: 76.68 kJ/mol; (18)Boiling Point: 498.6 °C at 760 mmHg; (19)Vapour Pressure: 4.47E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(N)Cc1cc2CCN(c2c(c1)C#N)C(C)=O
(2)InChI: InChI=1/C14H17N3O/c1-9(16)5-11-6-12-3-4-17(10(2)18)14(12)13(7-11)8-15/h6-7,9H,3-5,16H2,1-2H3
(3)InChIKey: MCRFLQWSKTXBBS-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C14H17N3O/c1-9(16)5-11-6-12-3-4-17(10(2)18)14(12)13(7-11)8-15/h6-7,9H,3-5,16H2,1-2H3
(5)Std. InChIKey: MCRFLQWSKTXBBS-UHFFFAOYSA-N