About 2-ethoxyethanimine
2-ethoxyethanimine (PubChem CID 15691123) has the molecular formula C4H9NO
and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-ethoxyethanimine.
Molecular Properties
| Compound Name | 2-ethoxyethanimine |
|---|
| PubChem CID | 15691123 |
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| Molecular Formula | C4H9NO |
|---|
| Molecular Weight | 87.12 g/mol |
|---|
| Exact Mass | 87.07 |
|---|
| IUPAC Name | 2-ethoxyethanimine |
|---|
| SMILES | [H]/N=C/COCC |
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| InChI | InChI=1S/C4H9NO/c1-2-6-4-3-5/h3,5H,2,4H2,1H3/b5-3+ |
|---|
| InChIKey | SEMTVTRSMQAPFL-HWKANZROSA-N |
|---|
| XLogP | 0.67 |
|---|
| TPSA | 33.08 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
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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 | 87.12 |
| LogP ≤ 5 | 0.67 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 2-ethoxyethanimine?
The IUPAC name of 2-ethoxyethanimine (CID 15691123) is 2-ethoxyethanimine.
What is the SMILES notation for 2-ethoxyethanimine?
The canonical SMILES for 2-ethoxyethanimine is [H]/N=C/COCC.
What is the InChIKey of 2-ethoxyethanimine?
The InChIKey is SEMTVTRSMQAPFL-HWKANZROSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-6-4-3-5/h3,5H,2,4H2,1H3/b5-3+.
What are the key properties of 2-ethoxyethanimine?
2-ethoxyethanimine has a molecular weight of 87.12 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanimine is sourced from PubChem (CID 15691123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).