About methoxycyanamide
methoxycyanamide (PubChem CID 15221623) has the molecular formula C2H4N2O
and a molecular weight of 72.07 g/mol. Its IUPAC name is methoxycyanamide.
Molecular Properties
| Compound Name | methoxycyanamide |
|---|
| PubChem CID | 15221623 |
|---|
| Molecular Formula | C2H4N2O |
|---|
| Molecular Weight | 72.07 g/mol |
|---|
| Exact Mass | 72.03 |
|---|
| IUPAC Name | methoxycyanamide |
|---|
| SMILES | CONC#N |
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| InChI | InChI=1S/C2H4N2O/c1-5-4-2-3/h4H,1H3 |
|---|
| InChIKey | UQFPFHWFXRTWRP-UHFFFAOYSA-N |
|---|
| XLogP | -0.38 |
|---|
| TPSA | 45.05 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 1 |
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| Heavy Atoms | 5 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 72.07 |
| LogP ≤ 5 | -0.38 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methoxycyanamide?
The IUPAC name of methoxycyanamide (CID 15221623) is methoxycyanamide.
What is the SMILES notation for methoxycyanamide?
The canonical SMILES for methoxycyanamide is CONC#N.
What is the InChIKey of methoxycyanamide?
The InChIKey is UQFPFHWFXRTWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O/c1-5-4-2-3/h4H,1H3.
What are the key properties of methoxycyanamide?
methoxycyanamide has a molecular weight of 72.07 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycyanamide is sourced from PubChem (CID 15221623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).