Name: (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE
SKU: 85416-75-7

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Basic Information

Molecular Structure:
CAS No.:	85416-75-7
Name:	(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-2-ONE
Article Data:	32

Formula:	C₁₆H₂₁NO₃
Molecular Weight:	275.348
Synonyms:	2-Pyrrolidinone, 4-(3-(cyclopentyloxy)-4-methoxyphenyl)-, (R)-;4-(3-cyclopentyloxy-4-methoxy-phenyl)pyrrolidin-2-one;(R)-(-)-Rolipram;(R)-4-(3-(Cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one;
Density:	1.155 g/cm³
Melting Point:	132.0 to 136.0 °C
Boiling Point:	472.7 °C at 760 mmHg
Flash Point:	239.7 °C
PSA:	47.56000
LogP:	2.94890

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Specification

The CAS register number of (R)-(-)-Rolipram is 85416-75-7. It also can be called as (R)-4-(3-(Cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one and the IUPAC name about this chemical is 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one. The molecular formula about this chemical is C₁₆H₂₁NO₃and molecular weight is 275.34. It belongs to the following product categories which include Cyclic Nucleotide related; Signalling and so on.

Physical properties about (R)-(-)-Rolipram are: (1)ACD/LogP: 1.43; (2)ACD/LogD (pH 5.5): 1.43; (3)ACD/LogD (pH 7.4): 1.43; (4)ACD/BCF (pH 5.5): 7.24; (5)ACD/BCF (pH 7.4): 7.24; (6)ACD/KOC (pH 5.5): 143.51; (7)ACD/KOC (pH 7.4): 143.51; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 38.77Å²; (12)Index of Refraction: 1.552; (13)Molar Refractivity: 76.15 cm³; (14)Molar Volume: 238.2 cm³; (15)Polarizability: 30.18x10^-24cm³; (16)Surface Tension: 43.5 dyne/cm; (17)Enthalpy of Vaporization: 73.57 kJ/mol; (18)Boiling Point: 472.7 °C at 760 mmHg; (19)Vapour Pressure: 4.17E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3NCC(c2cc(OC1CCCC1)c(OC)cc2)C3
(2)InChI: InChI=1/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
(3)InChIKey: HJORMJIFDVBMOB-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
(5)Std. InChIKey: HJORMJIFDVBMOB-UHFFFAOYSA-N