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1-Pyrrolidineacetamide,2-oxo-4-phenyl- (77472-70-9)

Identification
Name:1-Pyrrolidineacetamide,2-oxo-4-phenyl-
Synonyms:4-Phenyl-2-oxopyrrolidine-1-acetamide;4-Phenylpiracetam;Carphedon;Carphedone;Fonturacetam;Karfedon;Phenotropyl;2-(2-Oxo-4-phenyl-pyrrolidin-1-yl)acetamide;
CAS:77472-70-9
Molecular Formula: C12H14N2O2
Molecular Weight: 218.25
InChI: InChI=1/C12H14N2O2/c13-11(15)8-14-7-10(6-12(14)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)
Molecular Structure: (C12H14N2O2) 4-Phenyl-2-oxopyrrolidine-1-acetamide;4-Phenylpiracetam;Carphedon;Carphedone;Fonturacetam;Karfedon;P...
Properties
Density:1.22 g/cm3
Refractive index:1.579
Specification:

This chemical is called 4-Phenyl-2-pyrrolidone-1-acetamide, and its IUPAC name is 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide. With the molecular formula of C12H14N2O2, its molecular weight is 218.25. In addition, the CAS registry number of this chemical is 77472-70-9, and its classification code is Therapeutic Agent.

Other characteristics of the 4-Phenyl-2-pyrrolidone-1-acetamide can be summarised as followings: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.07; (8)ACD/KOC (pH 7.4): 29.07; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 59.47 cm3; (15)Molar Volume: 178.8 cm3; (16)Polarizability: 23.57×10-24cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 247.9 °C; (20)Enthalpy of Vaporization: 75.21 kJ/mol; (21)Boiling Point: 486.4 °C at 760 mmHg; (22)Vapour Pressure: 1.3E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(N)CN2C(=O)CC(c1ccccc1)C2
(2)InChI: InChI=1/C12H14N2O2/c13-11(15)8-14-7-10(6-12(14)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)
(3)InChIKey: LYONXVJRBWWGQO-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H14N2O2/c13-11(15)8-14-7-10(6-12(14)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,15)
(5)Std. InChIKey: LYONXVJRBWWGQO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 1100mg/kg (1100mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ANALGESIA
Russian Pharmacology and Toxicology Vol. 44, Pg. 22, 1981.
mouse LD50 unreported 1100mg/kg (1100mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: MUSCLE WEAKNESS
Pharmaceutical Chemistry Journal Vol. 14, Pg. 776, 1980.

Safety Data