Chemical Properties of N-Acetylpyrrole (CAS 609-41-6)

InChI

InChI=1S/C6H7NO/c1-6(8)7-4-2-3-5-7/h2-5H,1H3

InChI Key

OMYOJDLCFAUIHN-UHFFFAOYSA-N

Formula

C6H7NO

SMILES

CC(=O)n1cccc1

Molecular Weight¹

109.13

CAS

609-41-6

Other Names

• Pyrrole, 1-acetyl

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.59		Crippen Calculated Property
logPoct/wat	1.148		Crippen Calculated Property
McVol	87.490	ml/mol	McGowan Calculated Property
Inp	[948.00; 957.00]
Inp	948.00		NIST
Inp	957.00		NIST
Inp	957.00		NIST
I	[1554.00; 1576.00]
I	1554.00		NIST
I	1576.00		NIST

Similar Compounds

Find more compounds similar to N-Acetylpyrrole.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.