1.0 2010-04-08 22:05:12 UTC 2020-02-24 19:10:24 UTC FDB002022 1-(2-Furanylmethyl)-1H-pyrrole One of the constits. of the aroma of coffee also present in bread, roasted almond, popcorn, malt, roasted chicken, beer and sandalwood oil. Flavour ingredient. 1-(2-Furanylmethyl)-1H-pyrrole is found in many foods, some of which are alcoholic beverages, cereals and cereal products, coffee and coffee products, and animal foods. 1-(2-furanmethyl)-1H-pyrrole 1-(2-furanylmethyl)-1H-pyrrole (furfurylpyrrole) 1-(2-FurfuryI)pyrrole 1-(2-Furfuryl)-1H-pyrrole 1-(2-furfuryl)-pyrrole 1-(2-Furfuryl)pyrrole 1-(2-Furylmethyl)-1H-pyrrole 1-Furfuryl-1H-pyrrole 1-Furfuryl-pyrrole 1-Furfurylpyrrole 1H-Pyrrole, 1-(2-furanylmethyl)- 1H-Pyrrole, 1-(2-furfuryl) 2-Furfurylpyrrole FEMA 3284 N-(2-Furfuryl)pyrrole N-furfuryl pyrrole N-furfurylpyrrole Pyrrole, 1-furfuryl- C9H9NO 147.1739 147.068413915 1-(furan-2-ylmethyl)-1H-pyrrole 1-(furan-2-ylmethyl)pyrrole 1438-94-4 C(N1C=CC=C1)C1=CC=CO1 InChI=1S/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2 BTBFUBUCCJKJOZ-UHFFFAOYSA-N belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions. Substituted pyrroles Organic compounds Organoheterocyclic compounds Pyrroles Substituted pyrroles Aromatic heteromonocyclic compounds Azacyclic compounds Furans Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Aromatic heteromonocyclic compound Azacycle Furan Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Substituted pyrrole Liquid logp 1.86 ALOGPS logs -2.81 ALOGPS solubility 2.28e-01 g/l ALOGPS logp 2.06 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 1-(furan-2-ylmethyl)-1H-pyrrole ChemAxon average_mass 147.1739 ChemAxon mono_mass 147.068413915 ChemAxon smiles C(N1C=CC=C1)C1=CC=CO1 ChemAxon formula C9H9NO ChemAxon inchi InChI=1S/C9H9NO/c1-2-6-10(5-1)8-9-4-3-7-11-9/h1-7H,8H2 ChemAxon inchikey BTBFUBUCCJKJOZ-UHFFFAOYSA-N ChemAxon polar_surface_area 18.07 ChemAxon refractivity 42.72 ChemAxon polarizability 15.63 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21973 Specdb::CMs 150785 Specdb::MsIr 3847 Specdb::MsIr 3848 Specdb::MsMs 46662 Specdb::MsMs 46663 Specdb::MsMs 46664 Specdb::MsMs 126963 Specdb::MsMs 126964 Specdb::MsMs 126965 Specdb::MsMs 2658619 Specdb::MsMs 2658620 Specdb::MsMs 2658621 Specdb::MsMs 3050519 Specdb::MsMs 3050520 Specdb::MsMs 3050521 HMDB30204 #<Reference:0x000055ce323d99f0> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Beer Type 2 specific 0.01 0.01 0.01 mg/100 g Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Coffee and coffee products Unknown generic Nuts Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 coffee fruity green plastic vegetable waxy