1.0 2010-04-08 22:14:32 UTC 2015-07-21 06:38:00 UTC FDB019712 1-(1-Pyrrolidinyl)-2-propanone Proline-derived Maillard product 1-(1'-Pyrrolidinyl)-2-propanone 1-Acetonylpyrrolidine C7H13NO 127.1842 127.099714043 1-(pyrrolidin-1-yl)propan-2-one 1-(pyrrolidin-1-yl)propan-2-one 54151-38-1 CC(=O)CN1CCCC1 InChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h2-6H2,1H3 YZZYFRBPGIXHPD-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 0.25 ALOGPS logs 0.50 ALOGPS solubility 4.04e+02 g/l ALOGPS logp 0.4 ChemAxon pka_strongest_acidic 18.43 ChemAxon pka_strongest_basic 8.12 ChemAxon iupac 1-(pyrrolidin-1-yl)propan-2-one ChemAxon average_mass 127.1842 ChemAxon mono_mass 127.099714043 ChemAxon smiles CC(=O)CN1CCCC1 ChemAxon formula C7H13NO ChemAxon inchi InChI=1S/C7H13NO/c1-7(9)6-8-4-2-3-5-8/h2-6H2,1H3 ChemAxon inchikey YZZYFRBPGIXHPD-UHFFFAOYSA-N ChemAxon polar_surface_area 20.31 ChemAxon refractivity 37.16 ChemAxon polarizability 14.44 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19740 Specdb::CMs 147570 Specdb::MsIr 8513 Specdb::MsIr 8514 Specdb::MsMs 309928 Specdb::MsMs 309929 Specdb::MsMs 309930 Specdb::MsMs 354490 Specdb::MsMs 354491 Specdb::MsMs 354492 Specdb::MsMs 2736986 Specdb::MsMs 2736987 Specdb::MsMs 2736988 Specdb::MsMs 2968059 Specdb::MsMs 2968060 Specdb::MsMs 2968061 HMDB40030 #<Reference:0x000055ce3256e298>