1.0 2010-04-08 22:14:23 UTC 2015-07-21 06:36:20 UTC FDB019494 3-(1-Pyrrolidinyl)-2-butanone Maillard product 3-(1'-Pyrrolidinyl)-2-butanone C8H15NO 141.2108 141.115364107 3-(pyrrolidin-1-yl)butan-2-one 3-(pyrrolidin-1-yl)butan-2-one 97073-15-9 CC(N1CCCC1)C(C)=O InChI=1S/C8H15NO/c1-7(8(2)10)9-5-3-4-6-9/h7H,3-6H2,1-2H3 IXYTUYCLJBLYKD-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 Alpha-amino ketones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Trialkylamines Aliphatic heteromonocyclic compound Alpha-aminoketone Amine Azacycle Carbonyl group 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 0.87 ALOGPS logs 0.28 ALOGPS solubility 2.69e+02 g/l ALOGPS logp 0.97 ChemAxon pka_strongest_acidic 18.27 ChemAxon pka_strongest_basic 8.42 ChemAxon iupac 3-(pyrrolidin-1-yl)butan-2-one ChemAxon average_mass 141.2108 ChemAxon mono_mass 141.115364107 ChemAxon smiles CC(N1CCCC1)C(C)=O ChemAxon formula C8H15NO ChemAxon inchi InChI=1S/C8H15NO/c1-7(8(2)10)9-5-3-4-6-9/h7H,3-6H2,1-2H3 ChemAxon inchikey IXYTUYCLJBLYKD-UHFFFAOYSA-N ChemAxon polar_surface_area 20.31 ChemAxon refractivity 41.66 ChemAxon polarizability 16.33 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8382 Specdb::MsIr 8383 Specdb::CMs 21443 Specdb::CMs 171194 Specdb::MsMs 99858 Specdb::MsMs 99859 Specdb::MsMs 99860 Specdb::MsMs 165060 Specdb::MsMs 165061 Specdb::MsMs 165062 Specdb::MsMs 2770985 Specdb::MsMs 2770986 Specdb::MsMs 2770987 Specdb::MsMs 2907672 Specdb::MsMs 2907673 Specdb::MsMs 2907674 HMDB39840 #<Reference:0x000055ce31ca8b90>