1.0 2010-04-08 22:13:38 UTC 2025-11-19 02:10:49 UTC FDB018311 Norpandamarilactonine A Alkaloid from Pandanus amaryllifolius. Food flavouring 3-Methyl-5-(2-pyrrolidinyl)-2(5H)-furanone Norpandamarilactonine A C9H13NO2 167.205 167.094628665 3-methyl-5-(pyrrolidin-2-yl)-2,5-dihydrofuran-2-one 3-methyl-5-(pyrrolidin-2-yl)-5H-furan-2-one CC1=CC(OC1=O)C1CCCN1 InChI=1S/C9H13NO2/c1-6-5-8(12-9(6)11)7-3-2-4-10-7/h5,7-8,10H,2-4H2,1H3 LJJVKZSKPLBBSU-UHFFFAOYSA-N belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. Butenolides Organic compounds Organoheterocyclic compounds Dihydrofurans Furanones Aliphatic heteromonocyclic compounds Amino acids and derivatives Azacyclic compounds Carbonyl compounds Dialkylamines Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Oxacyclic compounds Pyrrolidines 2-furanone Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Amine Amino acid or derivatives Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pyrrolidine Secondary aliphatic amine Secondary amine logp 0.24 ALOGPS logs -0.94 ALOGPS solubility 1.92e+01 g/l ALOGPS logp 1.09 ChemAxon pka_strongest_acidic 14.71 ChemAxon pka_strongest_basic 10.34 ChemAxon iupac 3-methyl-5-(pyrrolidin-2-yl)-2,5-dihydrofuran-2-one ChemAxon average_mass 167.205 ChemAxon mono_mass 167.094628665 ChemAxon smiles CC1=CC(OC1=O)C1CCCN1 ChemAxon formula C9H13NO2 ChemAxon inchi InChI=1S/C9H13NO2/c1-6-5-8(12-9(6)11)7-3-2-4-10-7/h5,7-8,10H,2-4H2,1H3 ChemAxon inchikey LJJVKZSKPLBBSU-UHFFFAOYSA-N ChemAxon polar_surface_area 38.33 ChemAxon refractivity 45.21 ChemAxon polarizability 17.83 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11057 Specdb::MsMs 11058 Specdb::MsMs 11059 Specdb::MsMs 17729 Specdb::MsMs 17730 Specdb::MsMs 17731 Specdb::MsMs 2281639 Specdb::MsMs 2281640 Specdb::MsMs 2281641 Specdb::MsMs 3084040 Specdb::MsMs 3084041 Specdb::MsMs 3084042 Specdb::NmrOneD 29842 Specdb::NmrOneD 29843 Specdb::NmrOneD 29844 Specdb::NmrOneD 29845 Specdb::NmrOneD 29846 Specdb::NmrOneD 29847 Specdb::NmrOneD 29848 Specdb::NmrOneD 29849 Specdb::NmrOneD 29850 Specdb::NmrOneD 29851 Specdb::NmrOneD 29852 Specdb::NmrOneD 29853 Specdb::NmrOneD 29854 Specdb::NmrOneD 29855 Specdb::NmrOneD 29856 Specdb::NmrOneD 29857 Specdb::NmrOneD 29858 Specdb::NmrOneD 29859 Specdb::NmrOneD 29860 Specdb::NmrOneD 29861 Specdb::CMs 17754 Specdb::CMs 154289 HMDB0038869