Basic information
- Name:
N-[4-(2,5-Dioxopyrrol-1-yl)phenyl]acetamide
- CAS No.:
5702-75-0
- Molecular Structure:
![Molecular Structure of 5702-75-0 (N-[4-(2,5-Dioxopyrrol-1-yl)phenyl]acetamide)](http://www.lookchem.com/300w/26/255594.png)
- Formula:
- C12H10N2O3
- Synonyms:
- Acetamide, N-[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenyl]-;N-[4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]acetamide;
- Density:
- 1.409 g/cm3
- Boiling Point:
- 490.7 °C at 760 mmHg
- Flash Point:
- 250.5 °C
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Specification
This chemical is called N-[4-(2,5-Dioxopyrrol-1-yl)phenyl]acetamide, and it can also be named as Acetamide, N-[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenyl]-. The molecular formula of this chemical is C12H10N2O3. The CAS registry number of this chemical is 5702-75-0, and its systematic name is N-[4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]acetamide.
Other characteristics of the N-[4-(2,5-Dioxopyrrol-1-yl)phenyl]acetamide can be summarised as followings: (1)ACD/LogP: -0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 22.49; (6)ACD/KOC (pH 7.4): 22.49; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 57.69 Å2; (11)Index of Refraction: 1.664; (12)Molar Refractivity: 60.59 cm3; (13)Molar Volume: 163.3 cm3; (14)Polarizability: 24.02×10-24 cm3; (15)Surface Tension: 68.8 dyne/cm; (16)Density: 1.409 g/cm3; (17)Flash Point: 250.5 °C; (18)Enthalpy of Vaporization: 75.72 kJ/mol; (19)Boiling Point: 490.7 °C at 760 mmHg; (20)Vapour Pressure: 8.97E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1ccc(cc1)N2C(=O)\C=C/C2=O)C
2.InChI: InChI=1/C12H10N2O3/c1-8(15)13-9-2-4-10(5-3-9)14-11(16)6-7-12(14)17/h2-7H,1H3,(H,13,15)
3.InChIKey: QQFMVORCQKXLRN-UHFFFAOYAK