1-methyl-2,3-dihydropyridin-3-ylium

C6H8N+ — CID 18633311

IUPAC1-methyl-2,3-dihydropyridin-3-ylium
SMILESCN1C=CC=[C+]C1
InChIInChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-3,5H,6H2,1H3/q+1
InChIKeyRMJDOVGGCNREBR-UHFFFAOYSA-N
MW94.14 g/mol
LogP0.80
Rot. Bonds

About 1-methyl-2,3-dihydropyridin-3-ylium

1-methyl-2,3-dihydropyridin-3-ylium (PubChem CID 18633311) has the molecular formula C6H8N+ and a molecular weight of 94.14 g/mol. Its IUPAC name is 1-methyl-2,3-dihydropyridin-3-ylium.

Molecular Properties

Compound Name1-methyl-2,3-dihydropyridin-3-ylium
PubChem CID18633311
Molecular FormulaC6H8N+
Molecular Weight94.14 g/mol
Exact Mass94.07
IUPAC Name1-methyl-2,3-dihydropyridin-3-ylium
SMILESCN1C=CC=[C+]C1
InChIInChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-3,5H,6H2,1H3/q+1
InChIKeyRMJDOVGGCNREBR-UHFFFAOYSA-N
XLogP0.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.14
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-2,3-dihydropyridin-3-ylium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydropyridin-3-ylium?
The IUPAC name of 1-methyl-2,3-dihydropyridin-3-ylium (CID 18633311) is 1-methyl-2,3-dihydropyridin-3-ylium.
What is the SMILES notation for 1-methyl-2,3-dihydropyridin-3-ylium?
The canonical SMILES for 1-methyl-2,3-dihydropyridin-3-ylium is CN1C=CC=[C+]C1.
What is the InChIKey of 1-methyl-2,3-dihydropyridin-3-ylium?
The InChIKey is RMJDOVGGCNREBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-3,5H,6H2,1H3/q+1.
What are the key properties of 1-methyl-2,3-dihydropyridin-3-ylium?
1-methyl-2,3-dihydropyridin-3-ylium has a molecular weight of 94.14 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydropyridin-3-ylium is sourced from PubChem (CID 18633311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).