2-Acetylpyrrole (C6H7NO)

2-Acetylpyrrole presents a C6 framework, aromatic rings (formula C6H7NO, CAS 1072-83-9). ChemicalHelper Reaction can propose ranked disconnections for 2-Acetylpyrrole from the SMILES CC(=O)c1ccc[nH]1.

Target: 2-Acetylpyrrole
CAS: 1072-83-9
Formula: C6H7NO
Approx. MW: 109.13
SMILES: CC(=O)c1ccc[nH]1
PubChem CID: 14079
Approx. carbons: C6

2-Acetylpyrrole structure

Properties

IUPAC name: 1-(1H-pyrrol-2-yl)ethanone
Common names: 2-ACETYLPYRROLE; 1072-83-9; 1-(1H-Pyrrol-2-yl)ethanone; 1-(1H-Pyrrol-2-yl)ethan-1-one; 2-Pyrrolylethanone; Ethanone, 1-(1H-pyrrol-2-yl)-; Methyl pyrrol-2-yl ketone; Ketone, methyl pyrrol-2-yl; Methyl 2-pyrrolyl ketone; 2-Acetyl-1H-pyrrole
Molecular weight: 109.13
Exact mass: 109.05
InChIKey: IGJQUJNPMOYEJY-UHFFFAOYSA-N
Melting point: 90 °C
Boiling point: 220.00 °C. @ 760.00 mm Hg

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2-Acetylpyrrole 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Acetylpyrrole?

2-Acetylpyrrole has molecular formula C6H7NO. Molecular weight about 109.13 g·mol⁻¹.

What is the CAS number of 2-Acetylpyrrole?

The CAS Registry Number for 2-Acetylpyrrole is 1072-83-9.

Run AI retrosynthesis for 2-Acetylpyrrole Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H7NO.

Related targets

Similar compounds

2-Hydroxy-5-methylpyridine 3-Aminophenol 3-Pyridinemethanol 4-aminophenol 4-Hydroxymethylpyridine 4-Picoline N-oxide

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.