1.0 2010-04-08 22:14:47 UTC 2019-11-26 03:18:28 UTC FDB020088 2-Acetyl-1-methylpyrrole Flavouring ingredient 1-(1-Methyl-1H-pyrrol-2-yl)-ethanone 1-(1-Methyl-1H-pyrrol-2-yl)ethanone 1-(1-Methylpyrrol-2-yl)ethanone 1-methyl-2-acetylpyrrole 1H-Pyrrole, 1-methyl-2-acetyl 2-Acetyl-1-methylpyrrole 2-Acetyl-N-methylpyrrole Ethanone, 1-(1-methyl-1H-pyrrol-2-yl)- FEMA 3184 Ketone, methyl 1-methylpyrrol-2-yl Methyl 1-methylpyrrol-2-yl ketone N-Methyl-2-acetylpyrrole C7H9NO 123.1525 123.068413915 1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one 2-acetyl-1-methylpyrrole 932-16-1 CN1C=CC=C1C(C)=O InChI=1S/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H3 NZFLWVDXYUGFAV-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 N-methylpyrroles Organic oxides Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Aryl alkyl ketone Azacycle Heteroaromatic compound Hydrocarbon derivative N-methylpyrrole Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyrrole Substituted pyrrole aromatic ketone methyl ketone pyrroles logp 0.68 ALOGPS logs -1.94 ALOGPS solubility 1.42e+00 g/l ALOGPS logp 0.75 ChemAxon pka_strongest_acidic 16.63 ChemAxon pka_strongest_basic -7.8 ChemAxon iupac 1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one ChemAxon average_mass 123.1525 ChemAxon mono_mass 123.068413915 ChemAxon smiles CN1C=CC=C1C(C)=O ChemAxon formula C7H9NO ChemAxon inchi InChI=1S/C7H9NO/c1-6(9)7-4-3-5-8(7)2/h3-5H,1-2H3 ChemAxon inchikey NZFLWVDXYUGFAV-UHFFFAOYSA-N ChemAxon polar_surface_area 22 ChemAxon refractivity 35.99 ChemAxon polarizability 13.31 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8934 Specdb::MsIr 8935 Specdb::CMs 24330 Specdb::CMs 160239 Specdb::MsMs 11708 Specdb::MsMs 11709 Specdb::MsMs 11710 Specdb::MsMs 18380 Specdb::MsMs 18381 Specdb::MsMs 18382 Specdb::MsMs 2365699 Specdb::MsMs 2365700 Specdb::MsMs 2365701 Specdb::MsMs 2597017 Specdb::MsMs 2597018 Specdb::MsMs 2597019 Specdb::NmrOneD 40042 Specdb::NmrOneD 40043 Specdb::NmrOneD 40044 Specdb::NmrOneD 40045 Specdb::NmrOneD 40046 Specdb::NmrOneD 40047 Specdb::NmrOneD 40048 Specdb::NmrOneD 40049 Specdb::NmrOneD 40050 Specdb::NmrOneD 40051 Specdb::NmrOneD 40052 Specdb::NmrOneD 40053 Specdb::NmrOneD 40054 Specdb::NmrOneD 40055 Specdb::NmrOneD 40056 Specdb::NmrOneD 40057 Specdb::NmrOneD 40058 Specdb::NmrOneD 40059 Specdb::NmrOneD 40060 Specdb::NmrOneD 40061 HMDB40360 #<Reference:0x000055ce332ae390> Asparagus Type 1 specific Asparagus officinalis 4686 earthy