About N-(N'-cyanocarbamimidoyl)acetamide
N-(N'-cyanocarbamimidoyl)acetamide (PubChem CID 135408680) has the molecular formula C4H6N4O
and a molecular weight of 126.12 g/mol. Its IUPAC name is N-(N'-cyanocarbamimidoyl)acetamide.
Molecular Properties
| Compound Name | N-(N'-cyanocarbamimidoyl)acetamide |
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| PubChem CID | 135408680 |
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| Molecular Formula | C4H6N4O |
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| Molecular Weight | 126.12 g/mol |
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| Exact Mass | 126.05 |
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| IUPAC Name | N-(N'-cyanocarbamimidoyl)acetamide |
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| SMILES | CC(=O)N/C(N)=N/C#N |
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| InChI | InChI=1S/C4H6N4O/c1-3(9)8-4(6)7-2-5/h1H3,(H3,6,7,8,9) |
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| InChIKey | DGQUYCPHSDRPJV-UHFFFAOYSA-N |
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| XLogP | -1.08 |
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| TPSA | 91.27 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 | 9 |
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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 | 126.12 |
| LogP ≤ 5 | -1.08 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'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 N-(N'-cyanocarbamimidoyl)acetamide?
The IUPAC name of N-(N'-cyanocarbamimidoyl)acetamide (CID 135408680) is N-(N'-cyanocarbamimidoyl)acetamide.
What is the SMILES notation for N-(N'-cyanocarbamimidoyl)acetamide?
The canonical SMILES for N-(N'-cyanocarbamimidoyl)acetamide is CC(=O)N/C(N)=N/C#N.
What is the InChIKey of N-(N'-cyanocarbamimidoyl)acetamide?
The InChIKey is DGQUYCPHSDRPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c1-3(9)8-4(6)7-2-5/h1H3,(H3,6,7,8,9).
What are the key properties of N-(N'-cyanocarbamimidoyl)acetamide?
N-(N'-cyanocarbamimidoyl)acetamide has a molecular weight of 126.12 g/mol, XLogP of -1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-cyanocarbamimidoyl)acetamide is sourced from PubChem (CID 135408680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).