1-N-CBZ-3-PYRROLIDINONE

The Cyclopentanecarboxylic acid, 3-oxo-, phenylmethylester, with CAS registry number 130761-99-8, has the systematic name of benzyl 3-oxopyrrolidine-1-carboxylate. Besides this, it is also called 1-N-Cbz-3-pyrrolidinone. And the chemical formula of this chemical is C₁₂H₁₃NO₃.

Physical properties of Cyclopentanecarboxylic acid, 3-oxo-, phenylmethylester: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.64; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 5.5): 1.79; (6)ACD/BCF (pH 7.4): 1.79; (7)ACD/KOC (pH 5.5): 52.86; (8)ACD/KOC (pH 7.4): 52.86; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 57.58 cm³; (15)Molar Volume: 174.5 cm³; (16)Polarizability: 22.82×10^-24cm³; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.255 g/cm³; (19)Flash Point: 177.7 °C; (20)Enthalpy of Vaporization: 61.71 kJ/mol; (21)Boiling Point: 370.2 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Cyclopentanecarboxylic acid, 3-oxo-, phenylmethylester is harmful if swallowed. And it has limited evidence of a carcinogenic effect. You should not breathe vapour and avoid contact with skin and eyes. When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2CN(C(=O)OCc1ccccc1)CC2
(2)InChI: InChI=1/C12H13NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5H,6-9H2
(3)InChIKey: LMHWEUQNJRXMCD-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C12H13NO3/c14-11-6-7-13(8-11)12(15)16-9-10-4-2-1-3-5-10/h1-5H,6-9H2
(5)Std. InChIKey: LMHWEUQNJRXMCD-UHFFFAOYSA-N