1.0 2010-04-08 22:14:32 UTC 2015-07-21 06:37:59 UTC FDB019710 1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-2-propen-1-one Proline-derived Maillard product 5-Acryloyl-2,3-dihydro-1H-pyrrolizine C10H11NO 161.2004 161.084063979 1-(2,3-dihydro-1H-pyrrolizin-5-yl)prop-2-en-1-one 1-(6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-en-1-one 97073-00-2 C=CC(=O)C1=CC=C2CCCN12 InChI=1S/C10H11NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h2,5-6H,1,3-4,7H2 WDGGKRGJJOBJCZ-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 Acryloyl compounds Aryl ketones Azacyclic compounds Enones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles Acryloyl-group Alpha,beta-unsaturated ketone Aromatic heteropolycyclic compound Aryl ketone Azacycle Enone Heteroaromatic compound Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Pyrrolizine Substituted pyrrole logp 1.41 ALOGPS logs -2.22 ALOGPS solubility 9.70e-01 g/l ALOGPS logp 1.76 ChemAxon pka_strongest_acidic 17.65 ChemAxon pka_strongest_basic -7.6 ChemAxon iupac 1-(2,3-dihydro-1H-pyrrolizin-5-yl)prop-2-en-1-one ChemAxon average_mass 161.2004 ChemAxon mono_mass 161.084063979 ChemAxon smiles C=CC(=O)C1=CC=C2CCCN12 ChemAxon formula C10H11NO ChemAxon inchi InChI=1S/C10H11NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h2,5-6H,1,3-4,7H2 ChemAxon inchikey WDGGKRGJJOBJCZ-UHFFFAOYSA-N ChemAxon polar_surface_area 22 ChemAxon refractivity 48.58 ChemAxon polarizability 17.95 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23642 Specdb::CMs 155315 Specdb::MsIr 8509 Specdb::MsIr 8510 Specdb::MsMs 318400 Specdb::MsMs 318401 Specdb::MsMs 318402 Specdb::MsMs 365161 Specdb::MsMs 365162 Specdb::MsMs 365163 Specdb::MsMs 2284381 Specdb::MsMs 2284382 Specdb::MsMs 2284383 Specdb::MsMs 3081912 Specdb::MsMs 3081913 Specdb::MsMs 3081914 HMDB40028 #<Reference:0x000055ce30a4b600>