About N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine
N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine (PubChem CID 166455325) has the molecular formula C9H10N2
and a molecular weight of 146.19 g/mol. Its IUPAC name is N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine.
Molecular Properties
| Compound Name | N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine |
| PubChem CID | 166455325 |
| Molecular Formula | C9H10N2 |
| Molecular Weight | 146.19 g/mol |
| Exact Mass | 146.08 |
| IUPAC Name | N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine |
| SMILES | C=Cc1c(C)cncc1N=C |
| InChI | InChI=1S/C9H10N2/c1-4-8-7(2)5-11-6-9(8)10-3/h4-6H,1,3H2,2H3 |
| InChIKey | WGGWGEPXJWAXOX-UHFFFAOYSA-N |
| XLogP | 2.37 |
| TPSA | 25.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 146.19 |
| LogP ≤ 5 | 2.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine?
The IUPAC name of N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine (CID 166455325) is N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine.
What is the SMILES notation for N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine?
The canonical SMILES for N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine is C=Cc1c(C)cncc1N=C.
What is the InChIKey of N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine?
The InChIKey is WGGWGEPXJWAXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-4-8-7(2)5-11-6-9(8)10-3/h4-6H,1,3H2,2H3.
What are the key properties of N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine?
N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine has a molecular weight of 146.19 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine is sourced from PubChem (CID 166455325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).