2H-Pyrrolo[3,2-b]pyridin-2-one,1,3-dihydro- (32501-05-6)

The 1,3-Dihydro-2H-pyrrolo[3,2-b]pyridin-2-one, with the cas registry number 32501-05-6, is also known as 2H-Pyrrolo[3,2-b]pyridin-2-one, 1,3-dihydro-. This chemical's molecular formula is C₇H₆N₂O and formula weight is 134.14. What's more, both its IUPAC name and systematic name are the same which is called 1,3-Dihydro-2H-pyrrolo[3,2-b]pyridin-2-one.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10.541; (5)ACD/KOC (pH 7.4): 10.639; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 41.99 Å²; (10)Index of Refraction: 1.594; (11)Molar Refractivity: 35.385 cm³; (12)Molar Volume: 104.279 cm³; (13)Surface Tension: 53.047 dyne/cm; (14)Density: 1.286 g/cm³; (15)Flash Point: 157.554 °C; (16)Enthalpy of Vaporization: 58.01 kJ/mol; (17)Boiling Point: 336.903 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C2=C(C=CC=N2)NC1=O
(2)InChI: InChI=1S/C7H6N2O/c10-7-4-6-5(9-7)2-1-3-8-6/h1-3H,4H2,(H,9,10)
(3)InChIKey: IHRRHTILSRVFPW-UHFFFAOYSA-N