1.0 2010-04-08 22:06:12 UTC 2025-11-18 22:55:57 UTC FDB004336 1-Methoxyindole-3-carbaldehyde 1-methoxy-1h-indole-3-carboxaldehyde is a member of the class of compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. 1-methoxy-1h-indole-3-carboxaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-methoxy-1h-indole-3-carboxaldehyde can be found in root vegetables, which makes 1-methoxy-1h-indole-3-carboxaldehyde a potential biomarker for the consumption of this food product. C10H9NO2 175.184 175.063328537 1-methoxy-1H-indole-3-carbaldehyde 1-methoxyindole-3-carbaldehyde 67282-55-7 CON1C=C(C=O)C2=CC=CC=C12 InChI=1S/C10H9NO2/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3 NFGIENSPALNOON-UHFFFAOYSA-N belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Indoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Indoles Aromatic heteropolycyclic compounds Aryl-aldehydes Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles Vinylogous amides Aldehyde Aromatic heteropolycyclic compound Aryl-aldehyde Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Indole Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole Vinylogous amide logp 1.64 ALOGPS logs -2.27 ALOGPS solubility 9.33e-01 g/l ALOGPS logp 1.49 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 1-methoxy-1H-indole-3-carbaldehyde ChemAxon average_mass 175.184 ChemAxon mono_mass 175.063328537 ChemAxon smiles CON1C=C(C=O)C2=CC=CC=C12 ChemAxon formula C10H9NO2 ChemAxon inchi InChI=1S/C10H9NO2/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3 ChemAxon inchikey NFGIENSPALNOON-UHFFFAOYSA-N ChemAxon polar_surface_area 31.23 ChemAxon refractivity 51.39 ChemAxon polarizability 17.93 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9105 Specdb::MsIr 9106 Specdb::CMs 24897 Specdb::CMs 135701 Specdb::CMs 143435 Specdb::MsMs 109665 Specdb::MsMs 109666 Specdb::MsMs 109667 Specdb::MsMs 177162 Specdb::MsMs 177163 Specdb::MsMs 177164 Specdb::MsMs 439293 Specdb::MsMs 445273 Specdb::MsMs 445274 Specdb::MsMs 445275 Specdb::MsMs 445276 Specdb::MsMs 448229 Specdb::MsMs 2236323 Specdb::MsMs 2237076 Specdb::MsMs 2238458 Specdb::MsMs 2239101 Specdb::MsMs 2241133 Specdb::MsMs 2242616 Specdb::MsMs 2711705 Specdb::MsMs 2711706 Specdb::MsMs 2711707 Specdb::MsMs 2997833 Specdb::MsMs 2997834 Specdb::MsMs 2997835 HMDB0040972 Broccoli Type 1 specific Brassica oleracea var. italica 36774