1.0 2010-04-08 22:14:32 UTC 2015-07-21 06:37:54 UTC FDB019703 2,3-Dihydro-5-(3-hydroxypropanoyl)-1H-pyrrolizine Proline-derived Maillard product 1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-3-hydroxy-1-propanone C10H13NO2 179.2157 179.094628665 1-(2,3-dihydro-1H-pyrrolizin-5-yl)-3-hydroxypropan-1-one 1-(6,7-dihydro-5H-pyrrolizin-3-yl)-3-hydroxypropan-1-one 97073-09-1 OCCC(=O)C1=CC=C2CCCN12 InChI=1S/C10H13NO2/c12-7-5-10(13)9-4-3-8-2-1-6-11(8)9/h3-4,12H,1-2,5-7H2 DLLQYHQNPSDCSK-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 Beta-hydroxy ketones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols Substituted pyrroles Alcohol Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Azacycle Beta-hydroxy ketone Heteroaromatic compound Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Pyrrole Pyrrolizine Substituted pyrrole logp 0.84 ALOGPS logs -2.01 ALOGPS solubility 1.74e+00 g/l ALOGPS logp 0.42 ChemAxon pka_strongest_acidic 15.43 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 1-(2,3-dihydro-1H-pyrrolizin-5-yl)-3-hydroxypropan-1-one ChemAxon average_mass 179.2157 ChemAxon mono_mass 179.094628665 ChemAxon smiles OCCC(=O)C1=CC=C2CCCN12 ChemAxon formula C10H13NO2 ChemAxon inchi InChI=1S/C10H13NO2/c12-7-5-10(13)9-4-3-8-2-1-6-11(8)9/h3-4,12H,1-2,5-7H2 ChemAxon inchikey DLLQYHQNPSDCSK-UHFFFAOYSA-N ChemAxon polar_surface_area 42.23 ChemAxon refractivity 50.34 ChemAxon polarizability 19.54 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8494 Specdb::MsIr 8495 Specdb::MsIr 8496 Specdb::CMs 19659 Specdb::CMs 46673 Specdb::CMs 161585 Specdb::MsMs 309745 Specdb::MsMs 309746 Specdb::MsMs 309747 Specdb::MsMs 354250 Specdb::MsMs 354251 Specdb::MsMs 354252 Specdb::MsMs 3047107 Specdb::MsMs 3047108 Specdb::MsMs 3047109 Specdb::MsMs 3096730 Specdb::MsMs 3096731 Specdb::MsMs 3096732 HMDB40021 #<Reference:0x000055ce327a6ad8>