Chemical Properties of Ethanone, 1-(2,4-dimethyl-1H-pyrrol-3-yl)- (CAS 2386-25-6)

InChI

InChI=1S/C8H11NO/c1-5-4-9-6(2)8(5)7(3)10/h4,9H,1-3H3

InChI Key

VGZCKCJMYREIKA-UHFFFAOYSA-N

Formula

C8H11NO

SMILES

CC(=O)c1c(C)c[nH]c1C

Molecular Weight¹

137.18

CAS

2386-25-6

Other Names

• Ketone, 2,4-dimethylpyrrol-3-yl methyl
• 2,4-Dimethyl-3-acetylpyrrole
• 2,4-Dimethylpyrrol-3-yl methyl ketone
• 3-Acetyl-2,4-dimethylpyrrole
• 1-(2,4-Dimethyl-1H-pyrrol-3-yl)-ethanone

• 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	-2.30		Crippen Calculated Property
logPoct/wat	1.352		Crippen Calculated Property
McVol	115.670	ml/mol	McGowan Calculated Property
Inp	[1298.00; 1298.00]
Inp	1298.00		NIST
Inp	1298.00		NIST

Similar Compounds

Find more compounds similar to Ethanone, 1-(2,4-dimethyl-1H-pyrrol-3-yl)-.

Sources

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

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