1.0 2010-04-08 22:04:47 UTC 2015-07-20 21:36:25 UTC FDB000964 2-Acetyl-1-ethylpyrrole Flavouring ingredient 1-(1-Ethyl-1H-pyrrol-2-yl)-ethanone 1-(1-Ethyl-1H-pyrrol-2-yl)ethanone 1-(1-Ethylpyrrol-2-yl)ethanone 1-Ethyl-2-acetylazole 1-Ethyl-2-acetylpyrrole 1-N-Ethylpyrrole-2-yl ethanone 2-Acetyl-1-ethylpyrrole FEMA 3147 N-Ethyl-2-acetylpyrrole C8H11NO 137.179 137.084063979 1-(1-ethyl-1H-pyrrol-2-yl)ethan-1-one 1-(1-ethylpyrrol-2-yl)ethanone 39741-41-8 CCN1C=CC=C1C(C)=O InChI=1S/C8H11NO/c1-3-9-6-4-5-8(9)7(2)10/h4-6H,3H2,1-2H3 HQADRFRTIALOCB-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. Aryl alkyl ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds 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 Liquid logp 1.35 ALOGPS logs -2.07 ALOGPS solubility 1.16e+00 g/l ALOGPS logp 1.11 ChemAxon pka_strongest_acidic 16.62 ChemAxon pka_strongest_basic -7.8 ChemAxon iupac 1-(1-ethyl-1H-pyrrol-2-yl)ethan-1-one ChemAxon average_mass 137.179 ChemAxon mono_mass 137.084063979 ChemAxon smiles CCN1C=CC=C1C(C)=O ChemAxon formula C8H11NO ChemAxon inchi InChI=1S/C8H11NO/c1-3-9-6-4-5-8(9)7(2)10/h4-6H,3H2,1-2H3 ChemAxon inchikey HQADRFRTIALOCB-UHFFFAOYSA-N ChemAxon polar_surface_area 22 ChemAxon refractivity 40.74 ChemAxon polarizability 15.22 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3699 Specdb::MsIr 3700 Specdb::CMs 25477 Specdb::CMs 134707 Specdb::CMs 142441 Specdb::MsMs 64500 Specdb::MsMs 64501 Specdb::MsMs 64502 Specdb::MsMs 121671 Specdb::MsMs 121672 Specdb::MsMs 121673 Specdb::MsMs 2421903 Specdb::MsMs 2421904 Specdb::MsMs 2421905 Specdb::MsMs 2513686 Specdb::MsMs 2513687 Specdb::MsMs 2513688 HMDB29759 #<Reference:0x000055ce3302fee8> nutty