Name: 7H-Pyrrolo[1,2-c]imidazol-7-one,5,6-dihydro-(9CI)
SKU: 426219-43-4

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Basic Information

Molecular Structure:
CAS No.:	426219-43-4
Name:	7H-Pyrrolo[1,2-c]imidazol-7-one,5,6-dihydro-(9CI)
Article Data:	3

Formula:	C₆H₆N₂O
Molecular Weight:	122.126
Synonyms:	7H-Pyrrolo[1,2-c]imidazol-7-one, 5,6-dihydro-;
Density:	1.443 g/cm³
Boiling Point:	342.489 °C at 760 mmHg
Flash Point:	160.932 °C
PSA:	34.89000
LogP:	0.46950

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Specification

5,6-Dihydro-7H-pyrrolo[1,2-c]imidazol-7-one is an organic compound with the formula C₆H₆N₂O, and its systematic name is the same with the product name. With the CAS registry number 426219-43-4, it is also named as 7H-Pyrrolo[1,2-c]imidazol-7-one, 5,6-dihydro-. It belongs to the product categories of Pyrrolidine; Aminetertiary. In addition, the molecular weight is 122.05.

Physical properties of 5,6-Dihydro-7H-pyrrolo[1,2-c]imidazol-7-one are: (1)ACD/LogP: -0.065; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): -0.07; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 21.50; (8)ACD/KOC (pH 7.4): 21.94; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.89 Å²; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 32.956 cm³; (15)Molar Volume: 84.61 cm³; (16)Polarizability: 13.065×10^-24cm³; (17)Surface Tension: 60.48 dyne/cm; (18)Density: 1.443 g/cm³; (19)Flash Point: 160.932 °C; (20)Enthalpy of Vaporization: 58.625 kJ/mol; (21)Boiling Point: 342.489 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1cncn1CC2
(2)Std. InChI: InChI=1S/C6H6N2O/c9-6-1-2-8-4-7-3-5(6)8/h3-4H,1-2H2
(3)Std. InChIKey: ARGGKVFNNQUZPX-UHFFFAOYSA-N