1.0 2010-04-08 22:14:16 UTC 2015-07-21 06:34:47 UTC FDB019300 5-Methyl-2,5-di-1-pyrrolidinyl-2-cyclopenten-1-one Proline-derived Maillard product C14H22N2O 234.3373 234.173213336 5-methyl-2,5-bis(pyrrolidin-1-yl)cyclopent-2-en-1-one 5-methyl-2,5-bis(pyrrolidin-1-yl)cyclopent-2-en-1-one 97826-64-7 CC1(CC=C(N2CCCC2)C1=O)N1CCCC1 InChI=1S/C14H22N2O/c1-14(16-10-4-5-11-16)7-6-12(13(14)17)15-8-2-3-9-15/h6H,2-5,7-11H2,1H3 LHZWOGDJILLEFO-UHFFFAOYSA-N belongs to the class of organic compounds known as n-alkylpyrrolidines. N-alkylpyrrolidines are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. N-alkylpyrrolidines Organic compounds Organoheterocyclic compounds Pyrrolidines N-alkylpyrrolidines 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 N-alkylpyrrolidine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Tertiary aliphatic amine Tertiary amine logp 2.08 ALOGPS logs -0.95 ALOGPS solubility 2.65e+01 g/l ALOGPS logp 1.78 ChemAxon pka_strongest_basic 8.05 ChemAxon iupac 5-methyl-2,5-bis(pyrrolidin-1-yl)cyclopent-2-en-1-one ChemAxon average_mass 234.3373 ChemAxon mono_mass 234.173213336 ChemAxon smiles CC1(CC=C(N2CCCC2)C1=O)N1CCCC1 ChemAxon formula C14H22N2O ChemAxon inchi InChI=1S/C14H22N2O/c1-14(16-10-4-5-11-16)7-6-12(13(14)17)15-8-2-3-9-15/h6H,2-5,7-11H2,1H3 ChemAxon inchikey LHZWOGDJILLEFO-UHFFFAOYSA-N ChemAxon polar_surface_area 23.55 ChemAxon refractivity 71.45 ChemAxon polarizability 27.27 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11978 Specdb::CMs 159934 Specdb::NmrOneD 34442 Specdb::NmrOneD 34443 Specdb::NmrOneD 34444 Specdb::NmrOneD 34445 Specdb::NmrOneD 34446 Specdb::NmrOneD 34447 Specdb::NmrOneD 34448 Specdb::NmrOneD 34449 Specdb::NmrOneD 34450 Specdb::NmrOneD 34451 Specdb::NmrOneD 34452 Specdb::NmrOneD 34453 Specdb::NmrOneD 34454 Specdb::NmrOneD 34455 Specdb::NmrOneD 34456 Specdb::NmrOneD 34457 Specdb::NmrOneD 34458 Specdb::NmrOneD 34459 Specdb::NmrOneD 34460 Specdb::NmrOneD 34461 Specdb::MsMs 62937 Specdb::MsMs 62938 Specdb::MsMs 62939 Specdb::MsMs 119778 Specdb::MsMs 119779 Specdb::MsMs 119780 Specdb::MsMs 2841132 Specdb::MsMs 2841133 Specdb::MsMs 2841134 Specdb::MsMs 2863920 Specdb::MsMs 2863921 Specdb::MsMs 2863922 HMDB39671 #<Reference:0x000055ce320f1968>