1.0 2010-04-08 22:14:16 UTC 2015-07-21 06:34:49 UTC FDB019305 5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one Proline-derived Maillard product C11H17NO 179.2588 179.131014171 5-ethyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one 5-ethyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one 97826-60-3 CCC1CC=C(N2CCCC2)C1=O InChI=1S/C11H17NO/c1-2-9-5-6-10(11(9)13)12-7-3-4-8-12/h6,9H,2-5,7-8H2,1H3 IDLBOFBAMNDNFR-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 2.38 ALOGPS logs -0.60 ALOGPS solubility 4.46e+01 g/l ALOGPS logp 2.09 ChemAxon pka_strongest_basic 5.36 ChemAxon iupac 5-ethyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one ChemAxon average_mass 179.2588 ChemAxon mono_mass 179.131014171 ChemAxon smiles CCC1CC=C(N2CCCC2)C1=O ChemAxon formula C11H17NO ChemAxon inchi InChI=1S/C11H17NO/c1-2-9-5-6-10(11(9)13)12-7-3-4-8-12/h6,9H,2-5,7-8H2,1H3 ChemAxon inchikey IDLBOFBAMNDNFR-UHFFFAOYSA-N ChemAxon polar_surface_area 20.31 ChemAxon refractivity 55.15 ChemAxon polarizability 21.11 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19674 Specdb::CMs 160458 Specdb::MsIr 8262 Specdb::MsIr 8263 Specdb::MsMs 101481 Specdb::MsMs 101482 Specdb::MsMs 101483 Specdb::MsMs 167115 Specdb::MsMs 167116 Specdb::MsMs 167117 Specdb::MsMs 2821068 Specdb::MsMs 2821069 Specdb::MsMs 2821070 Specdb::MsMs 2857185 Specdb::MsMs 2857186 Specdb::MsMs 2857187 Specdb::NmrOneD 34502 Specdb::NmrOneD 34503 Specdb::NmrOneD 34504 Specdb::NmrOneD 34505 Specdb::NmrOneD 34506 Specdb::NmrOneD 34507 Specdb::NmrOneD 34508 Specdb::NmrOneD 34509 Specdb::NmrOneD 34510 Specdb::NmrOneD 34511 Specdb::NmrOneD 34512 Specdb::NmrOneD 34513 Specdb::NmrOneD 34514 Specdb::NmrOneD 34515 Specdb::NmrOneD 34516 Specdb::NmrOneD 34517 Specdb::NmrOneD 34518 Specdb::NmrOneD 34519 Specdb::NmrOneD 34520 Specdb::NmrOneD 34521 HMDB39676 #<Reference:0x000055ce2f4c3d78>