1.0 2010-04-08 22:14:16 UTC 2015-07-21 06:34:49 UTC FDB019306 3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one Proline-derived Maillard product C11H17NO 179.2588 179.131014171 3,4-dimethyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one 3,4-dimethyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one 97826-62-5 CC1CC(=O)C(N2CCCC2)=C1C InChI=1S/C11H17NO/c1-8-7-10(13)11(9(8)2)12-5-3-4-6-12/h8H,3-7H2,1-2H3 ASHYMNYOWDHCGV-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 1.58 ALOGPS logs -0.54 ALOGPS solubility 5.23e+01 g/l ALOGPS logp 1.64 ChemAxon pka_strongest_basic 5.63 ChemAxon iupac 3,4-dimethyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one ChemAxon average_mass 179.2588 ChemAxon mono_mass 179.131014171 ChemAxon smiles CC1CC(=O)C(N2CCCC2)=C1C ChemAxon formula C11H17NO ChemAxon inchi InChI=1S/C11H17NO/c1-8-7-10(13)11(9(8)2)12-5-3-4-6-12/h8H,3-7H2,1-2H3 ChemAxon inchikey ASHYMNYOWDHCGV-UHFFFAOYSA-N ChemAxon polar_surface_area 20.31 ChemAxon refractivity 54.81 ChemAxon polarizability 20.97 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8264 Specdb::MsIr 8265 Specdb::CMs 14478 Specdb::CMs 171909 Specdb::NmrOneD 34522 Specdb::NmrOneD 34523 Specdb::NmrOneD 34524 Specdb::NmrOneD 34525 Specdb::NmrOneD 34526 Specdb::NmrOneD 34527 Specdb::NmrOneD 34528 Specdb::NmrOneD 34529 Specdb::NmrOneD 34530 Specdb::NmrOneD 34531 Specdb::NmrOneD 34532 Specdb::NmrOneD 34533 Specdb::NmrOneD 34534 Specdb::NmrOneD 34535 Specdb::NmrOneD 34536 Specdb::NmrOneD 34537 Specdb::NmrOneD 34538 Specdb::NmrOneD 34539 Specdb::NmrOneD 34540 Specdb::NmrOneD 34541 Specdb::MsMs 56247 Specdb::MsMs 56248 Specdb::MsMs 56249 Specdb::MsMs 111618 Specdb::MsMs 111619 Specdb::MsMs 111620 Specdb::MsMs 2354985 Specdb::MsMs 2354986 Specdb::MsMs 2354987 Specdb::MsMs 2608068 Specdb::MsMs 2608069 Specdb::MsMs 2608070 HMDB39677 #<Reference:0x00007f093c164418>