About methyl 2-(methylamino)-2-oxoethanimidate
methyl 2-(methylamino)-2-oxoethanimidate (PubChem CID 19391257) has the molecular formula C4H8N2O2
and a molecular weight of 116.12 g/mol. Its IUPAC name is methyl 2-(methylamino)-2-oxoethanimidate.
Molecular Properties
| Compound Name | methyl 2-(methylamino)-2-oxoethanimidate |
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| PubChem CID | 19391257 |
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| Molecular Formula | C4H8N2O2 |
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| Molecular Weight | 116.12 g/mol |
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| Exact Mass | 116.06 |
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| IUPAC Name | methyl 2-(methylamino)-2-oxoethanimidate |
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| SMILES | [H]/N=C(\OC)C(=O)NC |
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| InChI | InChI=1S/C4H8N2O2/c1-6-4(7)3(5)8-2/h5H,1-2H3,(H,6,7)/b5-3- |
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| InChIKey | BJJIGTLJEGPGAD-HYXAFXHYSA-N |
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| XLogP | -0.64 |
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| TPSA | 62.18 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 8 |
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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 | 116.12 |
| LogP ≤ 5 | -0.64 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methyl 2-(methylamino)-2-oxoethanimidate?
The IUPAC name of methyl 2-(methylamino)-2-oxoethanimidate (CID 19391257) is methyl 2-(methylamino)-2-oxoethanimidate.
What is the SMILES notation for methyl 2-(methylamino)-2-oxoethanimidate?
The canonical SMILES for methyl 2-(methylamino)-2-oxoethanimidate is [H]/N=C(\OC)C(=O)NC.
What is the InChIKey of methyl 2-(methylamino)-2-oxoethanimidate?
The InChIKey is BJJIGTLJEGPGAD-HYXAFXHYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-6-4(7)3(5)8-2/h5H,1-2H3,(H,6,7)/b5-3-.
What are the key properties of methyl 2-(methylamino)-2-oxoethanimidate?
methyl 2-(methylamino)-2-oxoethanimidate has a molecular weight of 116.12 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-2-oxoethanimidate is sourced from PubChem (CID 19391257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).