1.0 2010-04-08 22:14:32 UTC 2015-07-21 06:37:54 UTC FDB019704 2,3-Dihydro-5-propanoyl-1H-pyrrolizine Proline-derived Maillard product 1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-propanone C10H13NO 163.2163 163.099714043 1-(2,3-dihydro-1H-pyrrolizin-5-yl)propan-1-one 1-(6,7-dihydro-5H-pyrrolizin-3-yl)propan-1-one 80933-76-2 CCC(=O)C1=CC=C2CCCN12 InChI=1S/C10H13NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h5-6H,2-4,7H2,1H3 WOCOJSXECLIQIX-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 1.93 ALOGPS logs -2.19 ALOGPS solubility 1.06e+00 g/l ALOGPS logp 1.7 ChemAxon pka_strongest_acidic 17.34 ChemAxon pka_strongest_basic -7.8 ChemAxon iupac 1-(2,3-dihydro-1H-pyrrolizin-5-yl)propan-1-one ChemAxon average_mass 163.2163 ChemAxon mono_mass 163.099714043 ChemAxon smiles CCC(=O)C1=CC=C2CCCN12 ChemAxon formula C10H13NO ChemAxon inchi InChI=1S/C10H13NO/c1-2-10(12)9-6-5-8-4-3-7-11(8)9/h5-6H,2-4,7H2,1H3 ChemAxon inchikey WOCOJSXECLIQIX-UHFFFAOYSA-N ChemAxon polar_surface_area 22 ChemAxon refractivity 48.56 ChemAxon polarizability 18.74 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16443 Specdb::CMs 154764 Specdb::MsIr 8497 Specdb::MsIr 8498 Specdb::MsMs 302347 Specdb::MsMs 302348 Specdb::MsMs 302349 Specdb::MsMs 345055 Specdb::MsMs 345056 Specdb::MsMs 345057 Specdb::MsMs 2338252 Specdb::MsMs 2338253 Specdb::MsMs 2338254 Specdb::MsMs 2624858 Specdb::MsMs 2624859 Specdb::MsMs 2624860 HMDB40022 #<Reference:0x000055ce31818580>