About (E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine
(E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine (PubChem CID 13285530) has the molecular formula C11H10N2O
and a molecular weight of 186.21 g/mol. Its IUPAC name is (E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine.
Molecular Properties
| Compound Name | (E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine |
| PubChem CID | 13285530 |
| Molecular Formula | C11H10N2O |
| Molecular Weight | 186.21 g/mol |
| Exact Mass | 186.08 |
| IUPAC Name | (E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine |
| SMILES | Cc1cccc(/N=C/c2ccco2)n1 |
| InChI | InChI=1S/C11H10N2O/c1-9-4-2-6-11(13-9)12-8-10-5-3-7-14-10/h2-8H,1H3/b12-8+ |
| InChIKey | SKBSXFNLNHMUMG-XYOKQWHBSA-N |
| XLogP | 2.73 |
| TPSA | 38.39 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 186.21 |
| LogP ≤ 5 | 2.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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 (E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine?
The IUPAC name of (E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine (CID 13285530) is (E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine.
What is the SMILES notation for (E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine?
The canonical SMILES for (E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine is Cc1cccc(/N=C/c2ccco2)n1.
What is the InChIKey of (E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine?
The InChIKey is SKBSXFNLNHMUMG-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H10N2O/c1-9-4-2-6-11(13-9)12-8-10-5-3-7-14-10/h2-8H,1H3/b12-8+.
What are the key properties of (E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine?
(E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine has a molecular weight of 186.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(furan-2-yl)-N-(6-methyl-2-pyridinyl)methanimine is sourced from PubChem (CID 13285530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).