1.0 2010-04-08 22:14:33 UTC 2019-11-26 03:17:48 UTC FDB019723 1-Furfurylpyrrolidine Proline-derived Maillard product. Constituent of dried, roasted squid aroma. 1-Furfurylpyrrolidine is found in mollusks. 1-Furfurylpyrrolidine C9H13NO 151.2056 151.099714043 1-[(furan-2-yl)methyl]pyrrolidine 1-(furan-2-ylmethyl)pyrrolidine 61893-12-7 C(N1CCCC1)C1=CC=CO1 InChI=1S/C9H13NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h3-4,7H,1-2,5-6,8H2 OTCUCAGXTNHLEI-UHFFFAOYSA-N belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. Aralkylamines Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aromatic heteromonocyclic compounds Azacyclic compounds Furans Heteroaromatic compounds Hydrocarbon derivatives N-alkylpyrrolidines Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Trialkylamines Aralkylamine Aromatic heteromonocyclic compound Azacycle Furan Heteroaromatic compound Hydrocarbon derivative N-alkylpyrrolidine Organic oxygen compound Organoheterocyclic compound Organooxygen compound Organopnictogen compound Oxacycle Pyrrolidine Tertiary aliphatic amine Tertiary amine logp 1.72 ALOGPS logs -1.08 ALOGPS solubility 1.25e+01 g/l ALOGPS logp 1.38 ChemAxon pka_strongest_basic 8.57 ChemAxon iupac 1-[(furan-2-yl)methyl]pyrrolidine ChemAxon average_mass 151.2056 ChemAxon mono_mass 151.099714043 ChemAxon smiles C(N1CCCC1)C1=CC=CO1 ChemAxon formula C9H13NO ChemAxon inchi InChI=1S/C9H13NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h3-4,7H,1-2,5-6,8H2 ChemAxon inchikey OTCUCAGXTNHLEI-UHFFFAOYSA-N ChemAxon polar_surface_area 16.38 ChemAxon refractivity 44.53 ChemAxon polarizability 17.1 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8523 Specdb::MsIr 8524 Specdb::MsMs 289555 Specdb::MsMs 289556 Specdb::MsMs 289557 Specdb::MsMs 328999 Specdb::MsMs 329000 Specdb::MsMs 329001 Specdb::MsMs 2716839 Specdb::MsMs 2716840 Specdb::MsMs 2716841 Specdb::MsMs 2961258 Specdb::MsMs 2961259 Specdb::MsMs 2961260 Specdb::NmrOneD 38062 Specdb::NmrOneD 38063 Specdb::NmrOneD 38064 Specdb::NmrOneD 38065 Specdb::NmrOneD 38066 Specdb::NmrOneD 38067 Specdb::NmrOneD 38068 Specdb::NmrOneD 38069 Specdb::NmrOneD 38070 Specdb::NmrOneD 38071 Specdb::NmrOneD 38072 Specdb::NmrOneD 38073 Specdb::NmrOneD 38074 Specdb::NmrOneD 38075 Specdb::NmrOneD 38076 Specdb::NmrOneD 38077 Specdb::NmrOneD 38078 Specdb::NmrOneD 38079 Specdb::NmrOneD 38080 Specdb::NmrOneD 38081 Specdb::CMs 10691 Specdb::CMs 162329 HMDB40037 #<Reference:0x000055ce31e5ad08> Mollusks Unknown generic 6447