1.0 2010-04-08 22:14:16 UTC 2015-07-21 06:34:48 UTC FDB019303 2-(1-Pyrrolidinyl)-2-cyclopenten-1-one Proline-derived Maillard product C9H13NO 151.2056 151.099714043 2-(pyrrolidin-1-yl)cyclopent-2-en-1-one 2-(pyrrolidin-1-yl)cyclopent-2-en-1-one 36287-24-8 O=C1CCC=C1N1CCCC1 InChI=1S/C9H13NO/c11-9-5-3-4-8(9)10-6-1-2-7-10/h4H,1-3,5-7H2 ZWFIWLWLIXMBEA-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolidines. Pyrrolidines are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. Pyrrolidines Organic compounds Organoheterocyclic compounds Pyrrolidines Aliphatic heteromonocyclic compounds Azacyclic compounds Cyclic ketones Enamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Trialkylamines Aliphatic heteromonocyclic compound Amine Azacycle Carbonyl group Cyclic ketone Enamine Hydrocarbon derivative Ketone Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrolidine Tertiary aliphatic amine Tertiary amine logp 1.34 ALOGPS logs 0.16 ALOGPS solubility 2.17e+02 g/l ALOGPS logp 1.11 ChemAxon pka_strongest_basic 5.45 ChemAxon iupac 2-(pyrrolidin-1-yl)cyclopent-2-en-1-one ChemAxon average_mass 151.2056 ChemAxon mono_mass 151.099714043 ChemAxon smiles O=C1CCC=C1N1CCCC1 ChemAxon formula C9H13NO ChemAxon inchi InChI=1S/C9H13NO/c11-9-5-3-4-8(9)10-6-1-2-7-10/h4H,1-3,5-7H2 ChemAxon inchikey ZWFIWLWLIXMBEA-UHFFFAOYSA-N ChemAxon polar_surface_area 20.31 ChemAxon refractivity 45.97 ChemAxon polarizability 17.06 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19603 Specdb::CMs 153512 Specdb::MsIr 8258 Specdb::MsIr 8259 Specdb::MsMs 87390 Specdb::MsMs 87391 Specdb::MsMs 87392 Specdb::MsMs 149883 Specdb::MsMs 149884 Specdb::MsMs 149885 Specdb::MsMs 2672082 Specdb::MsMs 2672083 Specdb::MsMs 2672084 Specdb::MsMs 3010215 Specdb::MsMs 3010216 Specdb::MsMs 3010217 HMDB39674 #<Reference:0x000055ce3238f238>