Chemical Properties of Ethanone, 1-(1-methyl-1H-pyrrol-2-yl)- (CAS 932-16-1)

InChI

InChI=1S/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H3

InChI Key

NZFLWVDXYUGFAV-UHFFFAOYSA-N

Formula

C7H9NO

SMILES

CC(=O)c1cccn1C

Molecular Weight¹

123.15

CAS

932-16-1

Other Names

• 1-(1-Methylpyrrol-2-yl)ethanone
• 2-Acetyl-1-methylpyrrole
• 2-Acetyl-N-methylpyrrole
• N-Methyl-2-acetylpyrrole
• 1H-Pyrrole, 1-methyl-2-acetyl
• 1-Methyl-2-acetylpyrrole
• 1-(1-methyl-1H-pyrrol-2-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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.42		Crippen Calculated Property
logPoct/wat	1.228		Crippen Calculated Property
McVol	101.580	ml/mol	McGowan Calculated Property
Inp	[1050.00; 1100.00]
Inp	1096.00		NIST
Inp	1100.00		NIST
Inp	1050.00		NIST
Inp	1055.00		NIST
Inp	1096.00		NIST
I	[1609.00; 1668.00]
I	1660.00		NIST
I	1660.00		NIST
I	1657.00		NIST
I	1657.00		NIST
I	1654.00		NIST
I	Outlier 1609.00		NIST
I	1668.00		NIST
I	1647.00		NIST
I	1645.00		NIST
I	1647.00		NIST
I	1653.00		NIST
I	1645.00		NIST
Tboil	474.20	K	NIST

Similar Compounds

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

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.