About (2-ethenyl-6-methylphenyl)methanimine
(2-ethenyl-6-methylphenyl)methanimine (PubChem CID 156888236) has the molecular formula C10H11N
and a molecular weight of 145.20 g/mol. Its IUPAC name is (2-ethenyl-6-methylphenyl)methanimine.
Molecular Properties
| Compound Name | (2-ethenyl-6-methylphenyl)methanimine |
| PubChem CID | 156888236 |
| Molecular Formula | C10H11N |
| Molecular Weight | 145.20 g/mol |
| Exact Mass | 145.09 |
| IUPAC Name | (2-ethenyl-6-methylphenyl)methanimine |
| SMILES | [H]/N=C/c1c(C)cccc1C=C |
| InChI | InChI=1S/C10H11N/c1-3-9-6-4-5-8(2)10(9)7-11/h3-7,11H,1H2,2H3/b11-7+ |
| InChIKey | PJPRXGHFEOEPMZ-YRNVUSSQSA-N |
| XLogP | 2.64 |
| TPSA | 23.85 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 145.20 |
| LogP ≤ 5 | 2.64 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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 (2-ethenyl-6-methylphenyl)methanimine?
The IUPAC name of (2-ethenyl-6-methylphenyl)methanimine (CID 156888236) is (2-ethenyl-6-methylphenyl)methanimine.
What is the SMILES notation for (2-ethenyl-6-methylphenyl)methanimine?
The canonical SMILES for (2-ethenyl-6-methylphenyl)methanimine is [H]/N=C/c1c(C)cccc1C=C.
What is the InChIKey of (2-ethenyl-6-methylphenyl)methanimine?
The InChIKey is PJPRXGHFEOEPMZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H11N/c1-3-9-6-4-5-8(2)10(9)7-11/h3-7,11H,1H2,2H3/b11-7+.
What are the key properties of (2-ethenyl-6-methylphenyl)methanimine?
(2-ethenyl-6-methylphenyl)methanimine has a molecular weight of 145.20 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenyl-6-methylphenyl)methanimine is sourced from PubChem (CID 156888236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).