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| CAS No.: | 40451-67-0 |
|---|---|
| Name: | 1-Pyrrolidinecarboxamide,2-oxo-(9CI) |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C5H8N2O2 |
| Molecular Weight: | 128.13 |
| Synonyms: | 1-Pyrrolidinecarboxamide,2-oxo-; |
| Density: | 1.353 g/cm3 |
| Melting Point: | 143-144 °C(Solv: benzene (71-43-2)) |
| Boiling Point: | 250.7 °C at 760 mmHg |
| Flash Point: | 105.4 °C |
| PSA: | 63.40000 |
| LogP: | 0.32570 |
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- Total:3 Page 1 of 1 1
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Specification
This chemical is called Squamolone, and its systematic name is 2-oxopyrrolidine-1-carboxamide. With the molecular formula of C5H8N2O2, its molecular weight is 128.13. The CAS registry number of this chemical is 40451-67-0. Additionally, its product category is Amide.
Other characteristics of the Squamolone can be summarised as followings: (1)ACD/LogP: -2.16; (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): 1.59; (6)ACD/KOC (pH 7.4): 1.59; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 40.62 Å2; (11)Index of Refraction: 1.551; (12)Molar Refractivity: 30.25 cm3; (13)Molar Volume: 94.6 cm3; (14)Polarizability: 11.99×10-24cm3; (15)Surface Tension: 63.2 dyne/cm; (16)Density: 1.353 g/cm3; (17)Flash Point: 105.4 °C; (18)Enthalpy of Vaporization: 48.8 kJ/mol; (19)Boiling Point: 250.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0213 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1N(C(=O)N)CCC1
2.InChI: InChI=1/C5H8N2O2/c6-5(9)7-3-1-2-4(7)8/h1-3H2,(H2,6,9)
3.InChIKey: XYVMBSCIEDOIJQ-UHFFFAOYAM