1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium

C16H16NO+ — CID 162283141

IUPAC1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium
SMILESCc1c(-c2cccc[n+]2C)ccc2c1OC1CC21
InChIInChI=1S/C16H16NO/c1-10-11(14-5-3-4-8-17(14)2)6-7-12-13-9-15(13)18-16(10)12/h3-8,13,15H,9H2,1-2H3/q+1
InChIKeyJQDHTEQUTYUPMX-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.73
Rot. Bonds1

About 1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium

1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium (PubChem CID 162283141) has the molecular formula C16H16NO+ and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium
PubChem CID162283141
Molecular FormulaC16H16NO+
Molecular Weight238.31 g/mol
Exact Mass238.12
IUPAC Name1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium
SMILESCc1c(-c2cccc[n+]2C)ccc2c1OC1CC21
InChIInChI=1S/C16H16NO/c1-10-11(14-5-3-4-8-17(14)2)6-7-12-13-9-15(13)18-16(10)12/h3-8,13,15H,9H2,1-2H3/q+1
InChIKeyJQDHTEQUTYUPMX-UHFFFAOYSA-N
XLogP2.73
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.73
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-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-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

2-[2,3-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium
CID 158240011
1-methyl-2-(1-methyltriphenylen-2-yl)pyridin-1-ium
CID 159416367
1-methyl-2-(1-methylnaphthalen-2-yl)pyridin-1-ium
CID 59522858
1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium
CID 177074990
1-methyl-2-(7-methyl-1-benzofuran-6-yl)pyridin-1-ium
CID 148870416
1-methyl-2-[1-[2-methyl-3-(1-methylpyridin-1-ium-2-yl)phenyl]-1-(1-methylpyridin-1-ium-2-yl)ethyl]pyridin-1-ium
CID 153276035
1-methyl-2-(1-methyldibenzothiophen-2-yl)pyridin-1-ium
CID 149202475
2-(4,7-dimethyl-9H-fluoren-3-yl)-1-methylpyridin-1-ium
CID 158693695
8-methyl-7-(1-methylpyridin-1-ium-2-yl)isoquinoline
CID 140917887
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990
1-methyl-2-(4-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)pyridin-1-ium
CID 162268108

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium (CID 162283141) is 1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium is Cc1c(-c2cccc[n+]2C)ccc2c1OC1CC21.
What is the InChIKey of 1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium?
The InChIKey is JQDHTEQUTYUPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16NO/c1-10-11(14-5-3-4-8-17(14)2)6-7-12-13-9-15(13)18-16(10)12/h3-8,13,15H,9H2,1-2H3/q+1.
What are the key properties of 1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium?
1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium has a molecular weight of 238.31 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-4-yl)pyridin-1-ium is sourced from PubChem (CID 162283141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).