2-ethenyl-1-methyl-2H-pyridine

C8H11N — CID 19781255

IUPAC2-ethenyl-1-methyl-2H-pyridine
SMILESC=CC1C=CC=CN1C
InChIInChI=1S/C8H11N/c1-3-8-6-4-5-7-9(8)2/h3-8H,1H2,2H3
InChIKeyOEDQNDJKBBYAHI-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.56
Rot. Bonds1

About 2-ethenyl-1-methyl-2H-pyridine

2-ethenyl-1-methyl-2H-pyridine (PubChem CID 19781255) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2-ethenyl-1-methyl-2H-pyridine.

Molecular Properties

Compound Name2-ethenyl-1-methyl-2H-pyridine
PubChem CID19781255
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2-ethenyl-1-methyl-2H-pyridine
SMILESC=CC1C=CC=CN1C
InChIInChI=1S/C8H11N/c1-3-8-6-4-5-7-9(8)2/h3-8H,1H2,2H3
InChIKeyOEDQNDJKBBYAHI-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-methyl-2H-pyridine?
The IUPAC name of 2-ethenyl-1-methyl-2H-pyridine (CID 19781255) is 2-ethenyl-1-methyl-2H-pyridine.
What is the SMILES notation for 2-ethenyl-1-methyl-2H-pyridine?
The canonical SMILES for 2-ethenyl-1-methyl-2H-pyridine is C=CC1C=CC=CN1C.
What is the InChIKey of 2-ethenyl-1-methyl-2H-pyridine?
The InChIKey is OEDQNDJKBBYAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-8-6-4-5-7-9(8)2/h3-8H,1H2,2H3.
What are the key properties of 2-ethenyl-1-methyl-2H-pyridine?
2-ethenyl-1-methyl-2H-pyridine has a molecular weight of 121.18 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-methyl-2H-pyridine is sourced from PubChem (CID 19781255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).