1.0 2010-04-08 22:14:33 UTC 2019-11-26 03:17:48 UTC FDB019738 5-Acetyl-2,3-dihydro-1H-pyrrolizine Proline-derived Maillard product. Constituent of popcorn, beer and cooked asparagus aroma. 5-Acetyl-2,3-dihydro-1H-pyrrolizine is found in alcoholic beverages, cereals and cereal products, and green vegetables. 1-(2,3-Dihydro-1H-pyrrolizin-5-yl)ethanone, 9CI 5-acetyl-2,3-1H-pyrrolizine 5-acetyl-2,3-dihydro-lH-pyrrolizine C9H11NO 149.1897 149.084063979 1-(2,3-dihydro-1H-pyrrolizin-5-yl)ethan-1-one 1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone 55041-85-5 CC(=O)C1=CC=C2CCCN12 InChI=1S/C9H11NO/c1-7(11)9-5-4-8-3-2-6-10(8)9/h4-5H,2-3,6H2,1H3 NWSCEJHRUVCUSX-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolizines. Pyrrolizines are compounds containing a pyrrolizine moiety, which consists of a pyrrole ring fused to a pyrrolidine ring. Pyrrolizines Organic compounds Organoheterocyclic compounds Pyrrolizines Aromatic heteropolycyclic compounds Aryl alkyl ketones Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Azacycle Heteroaromatic compound Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Pyrrolizine Substituted pyrrole logp 1.25 ALOGPS logs -2.09 ALOGPS solubility 1.22e+00 g/l ALOGPS melting_point Mp 45.5° logp 1 ChemAxon pka_strongest_acidic 16.75 ChemAxon pka_strongest_basic -7.8 ChemAxon iupac 1-(2,3-dihydro-1H-pyrrolizin-5-yl)ethan-1-one ChemAxon average_mass 149.1897 ChemAxon mono_mass 149.084063979 ChemAxon smiles CC(=O)C1=CC=C2CCCN12 ChemAxon formula C9H11NO ChemAxon inchi InChI=1S/C9H11NO/c1-7(11)9-5-4-8-3-2-6-10(8)9/h4-5H,2-3,6H2,1H3 ChemAxon inchikey NWSCEJHRUVCUSX-UHFFFAOYSA-N ChemAxon polar_surface_area 22 ChemAxon refractivity 43.94 ChemAxon polarizability 16.62 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22916 Specdb::CMs 165768 Specdb::MsMs 316882 Specdb::MsMs 316883 Specdb::MsMs 316884 Specdb::MsMs 363247 Specdb::MsMs 363248 Specdb::MsMs 363249 Specdb::MsMs 2297084 Specdb::MsMs 2297085 Specdb::MsMs 2297086 Specdb::MsMs 2642493 Specdb::MsMs 2642494 Specdb::MsMs 2642495 Specdb::MsIr 8556 Specdb::MsIr 8557 HMDB40051 #<Reference:0x000055ce317de498> Alcoholic beverages Unknown generic Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Green vegetables Unknown generic medicine