About N-(2-methoxyethenyl)methanimine
N-(2-methoxyethenyl)methanimine (PubChem CID 59391599) has the molecular formula C4H7NO
and a molecular weight of 85.11 g/mol. Its IUPAC name is N-(2-methoxyethenyl)methanimine.
Molecular Properties
| Compound Name | N-(2-methoxyethenyl)methanimine |
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| PubChem CID | 59391599 |
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| Molecular Formula | C4H7NO |
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| Molecular Weight | 85.11 g/mol |
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| Exact Mass | 85.05 |
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| IUPAC Name | N-(2-methoxyethenyl)methanimine |
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| SMILES | C=NC=COC |
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| InChI | InChI=1S/C4H7NO/c1-5-3-4-6-2/h3-4H,1H2,2H3 |
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| InChIKey | PLOOZJAUEKISAH-UHFFFAOYSA-N |
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| XLogP | 0.80 |
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| TPSA | 21.59 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 85.11 |
| LogP ≤ 5 | 0.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2-methoxyethenyl)methanimine?
The IUPAC name of N-(2-methoxyethenyl)methanimine (CID 59391599) is N-(2-methoxyethenyl)methanimine.
What is the SMILES notation for N-(2-methoxyethenyl)methanimine?
The canonical SMILES for N-(2-methoxyethenyl)methanimine is C=NC=COC.
What is the InChIKey of N-(2-methoxyethenyl)methanimine?
The InChIKey is PLOOZJAUEKISAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-5-3-4-6-2/h3-4H,1H2,2H3.
What are the key properties of N-(2-methoxyethenyl)methanimine?
N-(2-methoxyethenyl)methanimine has a molecular weight of 85.11 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethenyl)methanimine is sourced from PubChem (CID 59391599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).