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| CAS No.: | 37772-89-7 |
|---|---|
| Name: | 2,4-Pyrrolidinedione |
| Molecular Structure: | |
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| Formula: | C4H5NO2 |
| Molecular Weight: | 99.0892 |
| Synonyms: | 2,4-Pyrrolidinedione |
| Density: | 1.274 g/cm3 |
| Boiling Point: | 380.9 °C at 760 mmHg |
| Flash Point: | 211.3 °C |
| PSA: | 49.66000 |
| LogP: | -0.64870 |
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- Total:26 Page 1 of 1 1
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Specification
The 2,4-Pyrrolidinedione is an organic compound with the formula C4H5NO2. The systematic name of this chemical is pyrrolidine-2,4-dione. With the CAS registry number 37772-89-7, it is also named as 4-ketopyrrolidinone. The product's category is Drug Intermediates.
Physical properties about 2,4-Pyrrolidinedione are: (1)ACD/LogP: -2.72; (2)ACD/LogD (pH 5.5): -2.72; (3)ACD/LogD (pH 7.4): -2.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 37.38 Å2; (11)Index of Refraction: 1.479; (12)Molar Refractivity: 22.05 cm3; (13)Molar Volume: 77.7 cm3; (14)Polarizability: 8.74×10-24cm3; (15)Surface Tension: 43 dyne/cm; (16)Density: 1.274 g/cm3; (17)Flash Point: 211.3 °C; (18)Enthalpy of Vaporization: 62.91 kJ/mol; (19)Boiling Point: 380.9 °C at 760 mmHg; (20)Vapour Pressure: 5.28E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CNC(=O)C1
(2)InChI: InChI=1/C4H5NO2/c6-3-1-4(7)5-2-3/h1-2H2,(H,5,7)
(3)InChIKey: DOQJUNNMZNNQAD-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C4H5NO2/c6-3-1-4(7)5-2-3/h1-2H2,(H,5,7)
(5)Std. InChIKey: DOQJUNNMZNNQAD-UHFFFAOYSA-N