About N-methylethanimine oxide
N-methylethanimine oxide (PubChem CID 59937459) has the molecular formula C3H7NO
and a molecular weight of 73.09 g/mol. Its IUPAC name is N-methylethanimine oxide.
Molecular Properties
| Compound Name | N-methylethanimine oxide |
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| PubChem CID | 59937459 |
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| Molecular Formula | C3H7NO |
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| Molecular Weight | 73.09 g/mol |
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| Exact Mass | 73.05 |
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| IUPAC Name | N-methylethanimine oxide |
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| SMILES | CC=[N+](C)[O-] |
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| InChI | InChI=1S/C3H7NO/c1-3-4(2)5/h3H,1-2H3 |
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| InChIKey | NJRRLMCNXQQNLK-UHFFFAOYSA-N |
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| XLogP | 0.22 |
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| TPSA | 26.07 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 5 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 73.09 |
| LogP ≤ 5 | 0.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-methylethanimine oxide?
The IUPAC name of N-methylethanimine oxide (CID 59937459) is N-methylethanimine oxide.
What is the SMILES notation for N-methylethanimine oxide?
The canonical SMILES for N-methylethanimine oxide is CC=[N+](C)[O-].
What is the InChIKey of N-methylethanimine oxide?
The InChIKey is NJRRLMCNXQQNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO/c1-3-4(2)5/h3H,1-2H3.
What are the key properties of N-methylethanimine oxide?
N-methylethanimine oxide has a molecular weight of 73.09 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanimine oxide is sourced from PubChem (CID 59937459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).