1.0 2016-05-19 02:17:08 UTC 2026-08-23 14:15:39 UTC METHYL 2-PYRROLYL KETONE SmallMolecule METHYL 2-PYRROLYL KETONE belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C6H7NO and an average molecular weight of 109.13 g/mol. Industrially, the compound serves as a fragrance, as well as a flavouring and nutrient. It is found in or released from 16 recorded sources across various sectors. In the category of household cleaning and consumer products, it is associated with perfumes within detergents and soaps, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and pipe accessories, among four other sources. Within food, food processing and cookware, it is found in food contact materials, the preparation of malt, the preparation of wort, the preparation of wine or sparkling wine, and fermentation processes for beer. Additionally, it is present in electrical and electronic equipment, specifically in hybrid capacitors and electrically stimulated smoking devices. Recorded exposure routes for this compound include oral, inhalation, and touch. 1-(1H-pyrrol-2-yl)ethan-1-one 2-Acetylpyrrole Pyrrol-2-methylketone C6H7NO 109.1259 109.052763851 1-(1H-pyrrol-2-yl)ethan-1-one 2-acetylpyrrole 1072-83-9 CC(=O)C1=CC=CN1 InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3 IGJQUJNPMOYEJY-UHFFFAOYSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aryl alkyl ketones Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles Aromatic heteromonocyclic compound Aryl alkyl ketone Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyrrole Substituted pyrrole Aromatic heteromonocyclic compounds aromatic ketone methyl ketone pyrroles Detected and Not Quantified logp 0.9 logp 0.82 ALOGPS logs 0.40 ALOGPS solubility 2.74e+02 g/l ALOGPS logp 0.53 ChemAxon pka_strongest_acidic 14.06 ChemAxon pka_strongest_basic -7.8 ChemAxon iupac 1-(1H-pyrrol-2-yl)ethan-1-one ChemAxon average_mass 109.1259 ChemAxon mono_mass 109.052763851 ChemAxon smiles CC(=O)C1=CC=CN1 ChemAxon formula C6H7NO ChemAxon inchi InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3 ChemAxon inchikey IGJQUJNPMOYEJY-UHFFFAOYSA-N ChemAxon polar_surface_area 32.86 ChemAxon refractivity 31.1 ChemAxon polarizability 11.32 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72220312e0> 14079 13459