1-ethenyl-1-methyl-2H-pyridin-1-ium

C8H12N+ — CID 19104573

IUPAC1-ethenyl-1-methyl-2H-pyridin-1-ium
SMILESC=C[N+]1(C)C=CC=CC1
InChIInChI=1S/C8H12N/c1-3-9(2)7-5-4-6-8-9/h3-7H,1,8H2,2H3/q+1
InChIKeyBERINJNYODTMNE-UHFFFAOYSA-N
MW122.19 g/mol
LogP1.66
Rot. Bonds1

About 1-ethenyl-1-methyl-2H-pyridin-1-ium

1-ethenyl-1-methyl-2H-pyridin-1-ium (PubChem CID 19104573) has the molecular formula C8H12N+ and a molecular weight of 122.19 g/mol. Its IUPAC name is 1-ethenyl-1-methyl-2H-pyridin-1-ium.

Molecular Properties

Compound Name1-ethenyl-1-methyl-2H-pyridin-1-ium
PubChem CID19104573
Molecular FormulaC8H12N+
Molecular Weight122.19 g/mol
Exact Mass122.10
IUPAC Name1-ethenyl-1-methyl-2H-pyridin-1-ium
SMILESC=C[N+]1(C)C=CC=CC1
InChIInChI=1S/C8H12N/c1-3-9(2)7-5-4-6-8-9/h3-7H,1,8H2,2H3/q+1
InChIKeyBERINJNYODTMNE-UHFFFAOYSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1-methyl-2H-pyridin-1-ium?
The IUPAC name of 1-ethenyl-1-methyl-2H-pyridin-1-ium (CID 19104573) is 1-ethenyl-1-methyl-2H-pyridin-1-ium.
What is the SMILES notation for 1-ethenyl-1-methyl-2H-pyridin-1-ium?
The canonical SMILES for 1-ethenyl-1-methyl-2H-pyridin-1-ium is C=C[N+]1(C)C=CC=CC1.
What is the InChIKey of 1-ethenyl-1-methyl-2H-pyridin-1-ium?
The InChIKey is BERINJNYODTMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N/c1-3-9(2)7-5-4-6-8-9/h3-7H,1,8H2,2H3/q+1.
What are the key properties of 1-ethenyl-1-methyl-2H-pyridin-1-ium?
1-ethenyl-1-methyl-2H-pyridin-1-ium has a molecular weight of 122.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-methyl-2H-pyridin-1-ium is sourced from PubChem (CID 19104573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).