1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium

C15H16NO+ — CID 140899480

IUPAC1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)OCC2
InChIInChI=1S/C15H16NO/c1-11-6-7-12-8-10-17-15(12)14(11)13-5-3-4-9-16(13)2/h3-7,9H,8,10H2,1-2H3/q+1
InChIKeyAGFAWPRQODHTTN-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.42
Rot. Bonds1

About 1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium

1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium (PubChem CID 140899480) has the molecular formula C15H16NO+ and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium
PubChem CID140899480
Molecular FormulaC15H16NO+
Molecular Weight226.30 g/mol
Exact Mass226.12
IUPAC Name1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)OCC2
InChIInChI=1S/C15H16NO/c1-11-6-7-12-8-10-17-15(12)14(11)13-5-3-4-9-16(13)2/h3-7,9H,8,10H2,1-2H3/q+1
InChIKeyAGFAWPRQODHTTN-UHFFFAOYSA-N
XLogP2.42
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium
CID 140899490
1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclohexane]-8-yl)pyridin-1-ium
CID 140899479
1,4-dimethyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)-5-phenylpyridin-1-ium
CID 158626019
2-[6-(3,4-dihydro-2H-chromen-8-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051318
1-methyl-2-(3,3,6-trimethylspiro[1-benzofuran-2,1'-cyclohexane]-7-yl)pyridin-1-ium
CID 140899520
CID 140899476
CID 140899476
1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium
CID 140839454
2-[6-(2,3-dihydrobenzo[g][1]benzofuran-4-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 170239164
1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789
2-[6-(2,3-dihydro-1H-inden-5-yl)-3,7-dimethyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051369
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
ethane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 161214626

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium (CID 140899480) is 1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium is Cc1ccc2c(c1-c1cccc[n+]1C)OCC2.
What is the InChIKey of 1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium?
The InChIKey is AGFAWPRQODHTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16NO/c1-11-6-7-12-8-10-17-15(12)14(11)13-5-3-4-9-16(13)2/h3-7,9H,8,10H2,1-2H3/q+1.
What are the key properties of 1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium?
1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium has a molecular weight of 226.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium is sourced from PubChem (CID 140899480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).