Basic information
- Name:
2-Pyrrolidinecarboxamide,1-acetyl-, (2S)-
- Superlist Name:
- N-Acetyl-L-prolinamide
- CAS No.:
16395-58-7
- Molecular Structure:
- Formula:
- C7H12N2O2
- Molecular Weight:
- 156.18
- Synonyms:
- 2-Pyrrolidinecarboxamide,1-acetyl-, (S)-;2-Pyrrolidinecarboxamide, 1-acetyl-, L- (8CI);1-Acetylprolinamide;N-Acetylprolinamide;
- Density:
- 1.206 g/cm3
- Boiling Point:
- 411.9 °C at 760 mmHg
- Flash Point:
- 202.9 °C
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Specification
The IUPAC name of 2-Pyrrolidinecarboxamide,1-acetyl-, (2S)- is (2S)-1-acetylpyrrolidine-2-carboxamide. With the CAS registry number 16395-58-7, it is also named as N-Acetyl-L-prolinamide. The product's categories are Pyrrole; Amino Acids Series; Amino Acids; Chiral Compound. Beisides, this chemical should be stored at room temperature. In addition, its molecular formula is C7H12N2O2 and its molecular weight is 156.18.
The other characteristics of 2-Pyrrolidinecarboxamide,1-acetyl-, (2S)- can be summarized as: (1)ACD/LogP: -1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.34; (4)ACD/LogD (pH 7.4): -1.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.42; (8)ACD/KOC (pH 7.4): 4.42; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 39.32 cm3; (15)Molar Volume: 129.4 cm3; (16)Polarizability: 15.59×10-24cm3; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.206 g/cm3; (19)Flash Point: 202.9 °C; (20)Enthalpy of Vaporization: 66.45 kJ/mol; (21)Boiling Point: 411.9 °C at 760 mmHg; (22)Vapour Pressure: 5.38E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(N)[C@H]1N(C(=O)C)CCC1
(2)InChI: InChI=1/C7H12N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h6H,2-4H2,1H3,(H2,8,11)/t6-/m0/s1
(3)InChIKey: CXURPNUIYCJENH-LURJTMIEBJ
(4)Std. InChI: InChI=1S/C7H12N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h6H,2-4H2,1H3,(H2,8,11)/t6-/m0/s1
(5)Std. InChIKey: CXURPNUIYCJENH-LURJTMIESA-N
