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89851-99-0

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Basic Information
CAS No.: 89851-99-0
Name: N,N'-DIMETHYL-5-PYRROLIDINONE-3-CARBOXAMIDE
Molecular Structure:
Molecular Structure of 89851-99-0 (N,N'-DIMETHYL-5-PYRROLIDINONE-3-CARBOXAMIDE)
Formula: C7H12N2O2
Molecular Weight: 156.184
Synonyms: N,N-dimethyl-5-oxo-pyrrolidine-3-carboxamide;
Density: 1.145 g/cm3
Boiling Point: 406.8 °C at 760 mmHg
Flash Point: 199.8 °C
PSA: 49.41000
LogP: -0.46050
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Specification

The N,N-Dimethyl-5-pyrrolidinone-3-carboxamide, with CAS registry number 89851-99-0, has the systematic name of N,1-dimethyl-5-oxopyrrolidine-3-carboxamide. Besides this, it is also called 3-Pyrrolidinecarboxamide, N,1-dimethyl-5-oxo-. And the chemical formula of this chemical is C7H12N2O2.

Physical properties of N,N-Dimethyl-5-pyrrolidinone-3-carboxamide: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.42; (5)ACD/KOC (pH 7.4): 2.42; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 49.41 Å2; (10)Index of Refraction: 1.493; (11)Molar Refractivity: 39.65 cm3; (12)Molar Volume: 136.3 cm3; (13)Polarizability: 15.71×10-24cm3; (14)Surface Tension: 40.3 dyne/cm; (15)Enthalpy of Vaporization: 65.86 kJ/mol; (16)Vapour Pressure: 7.92E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC(CN1C)C(=O)NC
(2)InChI: InChI=1/C7H12N2O2/c1-8-7(11)5-3-6(10)9(2)4-5/h5H,3-4H2,1-2H3,(H,8,11)
(3)InChIKey: PXKKGBRPPYLXBO-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C7H12N2O2/c1-8-7(11)5-3-6(10)9(2)4-5/h5H,3-4H2,1-2H3,(H,8,11)
(5)Std. InChIKey: PXKKGBRPPYLXBO-UHFFFAOYSA-N