1.0 2010-04-08 22:14:16 UTC 2015-07-21 06:34:51 UTC FDB019315 trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one Proline-derived Maillard product 4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one; trans-form C11H17NO 179.2588 179.131014171 4,5-dimethyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one 4,5-dimethyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one 97826-63-6 CC1C=C(N2CCCC2)C(=O)C1C InChI=1S/C11H17NO/c1-8-7-10(11(13)9(8)2)12-5-3-4-6-12/h7-9H,3-6H2,1-2H3 QIZMUNLEIQZDBA-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 1.77 ALOGPS logs -0.31 ALOGPS solubility 8.86e+01 g/l ALOGPS logp 1.94 ChemAxon pka_strongest_basic 5.53 ChemAxon iupac 4,5-dimethyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one ChemAxon average_mass 179.2588 ChemAxon mono_mass 179.131014171 ChemAxon smiles CC1C=C(N2CCCC2)C(=O)C1C ChemAxon formula C11H17NO ChemAxon inchi InChI=1S/C11H17NO/c1-8-7-10(11(13)9(8)2)12-5-3-4-6-12/h7-9H,3-6H2,1-2H3 ChemAxon inchikey QIZMUNLEIQZDBA-UHFFFAOYSA-N ChemAxon polar_surface_area 20.31 ChemAxon refractivity 55.1 ChemAxon polarizability 20.98 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12456 Specdb::CMs 151072 Specdb::MsMs 54210 Specdb::MsMs 54211 Specdb::MsMs 54212 Specdb::MsMs 171996 Specdb::MsMs 171997 Specdb::MsMs 171998 Specdb::MsMs 2720958 Specdb::MsMs 2720959 Specdb::MsMs 2720960 Specdb::MsMs 2958378 Specdb::MsMs 2958379 Specdb::MsMs 2958380 Specdb::NmrOneD 34662 Specdb::NmrOneD 34663 Specdb::NmrOneD 34664 Specdb::NmrOneD 34665 Specdb::NmrOneD 34666 Specdb::NmrOneD 34667 Specdb::NmrOneD 34668 Specdb::NmrOneD 34669 Specdb::NmrOneD 34670 Specdb::NmrOneD 34671 Specdb::NmrOneD 34672 Specdb::NmrOneD 34673 Specdb::NmrOneD 34674 Specdb::NmrOneD 34675 Specdb::NmrOneD 34676 Specdb::NmrOneD 34677 Specdb::NmrOneD 34678 Specdb::NmrOneD 34679 Specdb::NmrOneD 34680 Specdb::NmrOneD 34681 HMDB39686 #<Reference:0x000055ce31d45d78>