2-Ethenyl-1-methylpyridinium

C8H10N+ — CID 83625

IUPAC2-ethenyl-1-methylpyridin-1-ium
SMILESC[N+]1=CC=CC=C1C=C
InChIInChI=1S/C8H10N/c1-3-8-6-4-5-7-9(8)2/h3-7H,1H2,2H3/q+1
InChIKeyDTJIKSRARSRPBU-UHFFFAOYSA-N
MW120.17 g/mol
LogP1.80
Rot. Bonds1

About 2-Ethenyl-1-methylpyridinium

2-Ethenyl-1-methylpyridinium (PubChem CID 83625) has the molecular formula C8H10N+ and a molecular weight of 120.17 g/mol. Its IUPAC name is 2-ethenyl-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-Ethenyl-1-methylpyridinium
PubChem CID83625
Molecular FormulaC8H10N+
Molecular Weight120.17 g/mol
Exact Mass120.08
IUPAC Name2-ethenyl-1-methylpyridin-1-ium
SMILESC[N+]1=CC=CC=C1C=C
InChIInChI=1S/C8H10N/c1-3-8-6-4-5-7-9(8)2/h3-7H,1H2,2H3/q+1
InChIKeyDTJIKSRARSRPBU-UHFFFAOYSA-N
XLogP1.80
TPSA3.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity98

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-Ethenyl-1-methylpyridinium 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

Pyridine
CID 1049
Cetylpyridinium Chloride
CID 31239
3-Methylpyridine
CID 7970
4-Methylpyridine
CID 7963
2,2'-Bipyridine
CID 1474
Pheniramine
CID 4761
Pralidoxime Chloride
CID 135445761
Cetylpyridinium Bromide
CID 8816
4-Vinylpyridine
CID 7502
2,6-Lutidine
CID 7937
2-Methylpyridine
CID 7975
Diquat
CID 6795

Frequently Asked Questions

What is the IUPAC name of 2-Ethenyl-1-methylpyridinium?
The IUPAC name of 2-Ethenyl-1-methylpyridinium (CID 83625) is 2-ethenyl-1-methylpyridin-1-ium.
What is the SMILES notation for 2-Ethenyl-1-methylpyridinium?
The canonical SMILES for 2-Ethenyl-1-methylpyridinium is C[N+]1=CC=CC=C1C=C.
What is the InChIKey of 2-Ethenyl-1-methylpyridinium?
The InChIKey is DTJIKSRARSRPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N/c1-3-8-6-4-5-7-9(8)2/h3-7H,1H2,2H3/q+1.
What are the key properties of 2-Ethenyl-1-methylpyridinium?
2-Ethenyl-1-methylpyridinium has a molecular weight of 120.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Ethenyl-1-methylpyridinium is sourced from PubChem (CID 83625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).