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CAS No.: | 77015-41-9 |
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Name: | 1-Propanoylpyrrolidin-2-one |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H11NO2 |
Molecular Weight: | 141.17 |
Synonyms: | 1-Propionyl-pyrrolidin-2-one;2-pyrrolidinone, 1-(1-oxopropyl)-; |
Density: | 1.138 g/cm3 |
Boiling Point: | 257.9 °C at 760 mmHg |
Flash Point: | 114.5 °C |
PSA: | 37.38000 |
LogP: | 0.48330 |
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The 1-Propanoylpyrrolidin-2-one, with the CAS registry number 77015-41-9, is also known as 1-Propionyl-pyrrolidin-2-one. This chemical's molecular formula is C7H11NO2 and molecular weight is 141.17.
Physical properties of 1-Propanoylpyrrolidin-2-one are: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 37.38 Å2; (7)Index of Refraction: 1.491; (8)Molar Refractivity: 35.98 cm3; (9)Molar Volume: 124 cm3; (10)Polarizability: 14.26×10-24 cm3; (11)Surface Tension: 42.8 dyne/cm; (12)Density: 1.138 g/cm3; (13)Flash Point: 114.5 °C; (14)Enthalpy of Vaporization: 49.54 kJ/mol; (15)Boiling Point: 257.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0142 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(C(=O)CC)CCC1
(2)InChI: InChI=1/C7H11NO2/c1-2-6(9)8-5-3-4-7(8)10/h2-5H2,1H3
(3)InChIKey: MNRCYXHUPGJXOS-UHFFFAOYAA