Chemical Properties of Pyrrolidin-2-one, 1-[1-(4-carbomethoxyphenyl)butan-1-ol-2-yl]-

InChI

InChI=1S/C16H21NO4/c1-3-13(17-10-4-5-14(17)18)15(19)11-6-8-12(9-7-11)16(20)21-2/h6-9,13,15,19H,3-5,10H2,1-2H3

InChI Key

BULBLXXKCKVDBY-UHFFFAOYSA-N

Formula

C16H21NO4

SMILES

CCC(C(O)c1ccc(C(=O)OC)cc1)N1CCCC1=O

Molecular Weight¹

291.34

Other Names

• 4 -methyl-«alpha»-pyrrolidinobutyrophenone-M (carboxy-oxo-dihydro-) methyl

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.10		Crippen Calculated Property
logPoct/wat	1.908		Crippen Calculated Property
McVol	226.540	ml/mol	McGowan Calculated Property
Inp	[2350.00; 2350.00]
Inp	2350.00		NIST
Inp	2350.00		NIST

Similar Compounds

Find more compounds similar to Pyrrolidin-2-one, 1-[1-(4-carbomethoxyphenyl)butan-1-ol-2-yl]-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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