2-ethenyl-1,4-dimethylpyridin-1-ium

C9H12N+ — CID 159134577

IUPAC2-ethenyl-1,4-dimethylpyridin-1-ium
SMILESC=Cc1cc(C)cc[n+]1C
InChIInChI=1S/C9H12N/c1-4-9-7-8(2)5-6-10(9)3/h4-7H,1H2,2-3H3/q+1
InChIKeyTZOFTXVYVZPSAU-UHFFFAOYSA-N
MW134.20 g/mol
LogP1.46
Rot. Bonds1

About 2-ethenyl-1,4-dimethylpyridin-1-ium

2-ethenyl-1,4-dimethylpyridin-1-ium (PubChem CID 159134577) has the molecular formula C9H12N+ and a molecular weight of 134.20 g/mol. Its IUPAC name is 2-ethenyl-1,4-dimethylpyridin-1-ium.

Molecular Properties

Compound Name2-ethenyl-1,4-dimethylpyridin-1-ium
PubChem CID159134577
Molecular FormulaC9H12N+
Molecular Weight134.20 g/mol
Exact Mass134.10
IUPAC Name2-ethenyl-1,4-dimethylpyridin-1-ium
SMILESC=Cc1cc(C)cc[n+]1C
InChIInChI=1S/C9H12N/c1-4-9-7-8(2)5-6-10(9)3/h4-7H,1H2,2-3H3/q+1
InChIKeyTZOFTXVYVZPSAU-UHFFFAOYSA-N
XLogP1.46
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,4-dimethylpyridin-1-ium?
The IUPAC name of 2-ethenyl-1,4-dimethylpyridin-1-ium (CID 159134577) is 2-ethenyl-1,4-dimethylpyridin-1-ium.
What is the SMILES notation for 2-ethenyl-1,4-dimethylpyridin-1-ium?
The canonical SMILES for 2-ethenyl-1,4-dimethylpyridin-1-ium is C=Cc1cc(C)cc[n+]1C.
What is the InChIKey of 2-ethenyl-1,4-dimethylpyridin-1-ium?
The InChIKey is TZOFTXVYVZPSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N/c1-4-9-7-8(2)5-6-10(9)3/h4-7H,1H2,2-3H3/q+1.
What are the key properties of 2-ethenyl-1,4-dimethylpyridin-1-ium?
2-ethenyl-1,4-dimethylpyridin-1-ium has a molecular weight of 134.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,4-dimethylpyridin-1-ium is sourced from PubChem (CID 159134577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).