About n-Methyl-4-vinylpyridine
n-Methyl-4-vinylpyridine (PubChem CID 22463631) has the molecular formula C8H11N
and a molecular weight of 121.18 g/mol. Its IUPAC name is 4-ethenyl-1-methyl-2H-pyridine.
Molecular Properties
| Compound Name | n-Methyl-4-vinylpyridine |
| PubChem CID | 22463631 |
| Molecular Formula | C8H11N |
| Molecular Weight | 121.18 g/mol |
| Exact Mass | 121.09 |
| IUPAC Name | 4-ethenyl-1-methyl-2H-pyridine |
| SMILES | CN1CC=C(C=C1)C=C |
| InChI | InChI=1S/C8H11N/c1-3-8-4-6-9(2)7-5-8/h3-6H,1,7H2,2H3 |
| InChIKey | YLBAGJYQBOPFCD-UHFFFAOYSA-N |
| XLogP | 1.60 |
| TPSA | 3.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 9 |
| Complexity | 165 |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 121.18 |
| LogP ≤ 5 | 1.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of n-Methyl-4-vinylpyridine?
The IUPAC name of n-Methyl-4-vinylpyridine (CID 22463631) is 4-ethenyl-1-methyl-2H-pyridine.
What is the SMILES notation for n-Methyl-4-vinylpyridine?
The canonical SMILES for n-Methyl-4-vinylpyridine is CN1CC=C(C=C1)C=C.
What is the InChIKey of n-Methyl-4-vinylpyridine?
The InChIKey is YLBAGJYQBOPFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-8-4-6-9(2)7-5-8/h3-6H,1,7H2,2H3.
What are the key properties of n-Methyl-4-vinylpyridine?
n-Methyl-4-vinylpyridine has a molecular weight of 121.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for n-Methyl-4-vinylpyridine is sourced from PubChem (CID 22463631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).