1.0 2010-04-08 22:09:28 UTC 2019-11-26 03:04:34 UTC FDB011113 1-Methylpyrrole Maillard product. 1-Methylpyrrole is found in tamarind. 1-Methyl-1H-pyrrole 1-Methyl-pyrrole 1-Methylpyrrol 1H-Pyrrole, 1-methyl- Methylpyrrole N-methylpyrrol N-methylpyrrole Pyrrole, 1-methyl- C5H7N 81.1158 81.057849229 1-methyl-1H-pyrrole N-methylpyrrole 96-54-8 CN1C=CC=C1 InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3 OXHNLMTVIGZXSG-UHFFFAOYSA-N belongs to the class of organic compounds known as n-methylpyrroles. These are organic heterocyclic compounds containing a N-methylated pyrrole. N-methylpyrroles Organic compounds Organoheterocyclic compounds Pyrroles Substituted pyrroles Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative N-methylpyrrole Organic nitrogen compound Organonitrogen compound Organopnictogen compound logp 1.31 ALOGPS logs -1.65 ALOGPS solubility 1.81e+00 g/l ALOGPS logp 1.28 ChemAxon iupac 1-methyl-1H-pyrrole ChemAxon average_mass 81.1158 ChemAxon mono_mass 81.057849229 ChemAxon smiles CN1C=CC=C1 ChemAxon formula C5H7N ChemAxon inchi InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3 ChemAxon inchikey OXHNLMTVIGZXSG-UHFFFAOYSA-N ChemAxon polar_surface_area 4.93 ChemAxon refractivity 25.71 ChemAxon polarizability 9.24 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25235 Specdb::CMs 27089 Specdb::CMs 101299 Specdb::CMs 160819 Specdb::MsIr 5953 Specdb::MsIr 5954 Specdb::MsMs 87225 Specdb::MsMs 87226 Specdb::MsMs 87227 Specdb::MsMs 149691 Specdb::MsMs 149692 Specdb::MsMs 149693 Specdb::MsMs 448233 Specdb::MsMs 448234 Specdb::MsMs 448235 Specdb::MsMs 448236 Specdb::MsMs 448237 Specdb::MsMs 448238 Specdb::MsMs 448239 Specdb::MsMs 448240 Specdb::MsMs 448241 Specdb::MsMs 448242 Specdb::MsMs 448493 Specdb::MsMs 448494 Specdb::MsMs 448495 Specdb::MsMs 448496 Specdb::MsMs 448497 Specdb::MsMs 448498 Specdb::MsMs 448499 Specdb::MsMs 448500 Specdb::MsMs 448501 Specdb::NmrOneD 118078 Specdb::NmrOneD 118079 Specdb::NmrOneD 118080 Specdb::NmrOneD 118081 Specdb::NmrOneD 118082 Specdb::NmrOneD 118083 Specdb::NmrOneD 118084 Specdb::NmrOneD 118085 Specdb::NmrOneD 118086 Specdb::NmrOneD 118087 Specdb::NmrOneD 118088 Specdb::NmrOneD 118089 Specdb::NmrOneD 118090 Specdb::NmrOneD 118091 Specdb::NmrOneD 118092 Specdb::NmrOneD 118093 Specdb::NmrOneD 118094 Specdb::NmrOneD 118095 Specdb::NmrOneD 118096 Specdb::NmrOneD 118097 HMDB33113 MR3 #<Reference:0x000055ce320d0e48> Corn Type 1 specific Zea mays 4577 Tamarind Type 1 specific Tamarindus indica 58860 herbal powerful smoky woody