1.0 2010-04-08 22:14:31 UTC 2025-11-19 02:23:41 UTC FDB019692 1-(2,3-Dihydro-6,7-dimethyl-1H-pyrrolizin-5-yl)-2-hydroxy-1-propanone Proline-derived Maillard product 2,3-Dihydro-6,7-dimethyl-5-(2-hydroxypropionyl)-1H-pyrrolizine C12H17NO2 207.2689 207.125928793 1-(6,7-dimethyl-2,3-dihydro-1H-pyrrolizin-5-yl)-2-hydroxypropan-1-one 1-(1,2-dimethyl-6,7-dihydro-5H-pyrrolizin-3-yl)-2-hydroxypropan-1-one 97073-12-6 CC(O)C(=O)C1=C(C)C(C)=C2CCCN12 InChI=1S/C12H17NO2/c1-7-8(2)11(12(15)9(3)14)13-6-4-5-10(7)13/h9,14H,4-6H2,1-3H3 ZCNNVEPQSPOCJM-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 Acyloins Alpha-hydroxy ketones Aryl alkyl ketones Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary alcohols Substituted pyrroles Acyloin Alcohol Alpha-hydroxy ketone 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 Secondary alcohol Substituted pyrrole logp 1.42 ALOGPS logs -2.26 ALOGPS solubility 1.14e+00 g/l ALOGPS logp 1.78 ChemAxon pka_strongest_acidic 13.74 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 1-(6,7-dimethyl-2,3-dihydro-1H-pyrrolizin-5-yl)-2-hydroxypropan-1-one ChemAxon average_mass 207.2689 ChemAxon mono_mass 207.125928793 ChemAxon smiles CC(O)C(=O)C1=C(C)C(C)=C2CCCN12 ChemAxon formula C12H17NO2 ChemAxon inchi InChI=1S/C12H17NO2/c1-7-8(2)11(12(15)9(3)14)13-6-4-5-10(7)13/h9,14H,4-6H2,1-3H3 ChemAxon inchikey ZCNNVEPQSPOCJM-UHFFFAOYSA-N ChemAxon polar_surface_area 42.23 ChemAxon refractivity 60.21 ChemAxon polarizability 23.65 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25385 Specdb::CMs 46672 Specdb::CMs 169950 Specdb::MsIr 8470 Specdb::MsIr 8471 Specdb::MsIr 8472 Specdb::MsMs 322207 Specdb::MsMs 322208 Specdb::MsMs 322209 Specdb::MsMs 370060 Specdb::MsMs 370061 Specdb::MsMs 370062 Specdb::MsMs 2375882 Specdb::MsMs 2375883 Specdb::MsMs 2375884 Specdb::MsMs 2560194 Specdb::MsMs 2560195 Specdb::MsMs 2560196 HMDB40010 #<Reference:0x000055ce31935af8>