About (3Z)-2-cyano-3-hydroxyiminopropanamide
(3Z)-2-cyano-3-hydroxyiminopropanamide (PubChem CID 87558261) has the molecular formula C4H5N3O2
and a molecular weight of 127.10 g/mol. Its IUPAC name is (3Z)-2-cyano-3-hydroxyiminopropanamide.
Molecular Properties
| Compound Name | (3Z)-2-cyano-3-hydroxyiminopropanamide |
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| PubChem CID | 87558261 |
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| Molecular Formula | C4H5N3O2 |
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| Molecular Weight | 127.10 g/mol |
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| Exact Mass | 127.04 |
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| IUPAC Name | (3Z)-2-cyano-3-hydroxyiminopropanamide |
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| SMILES | N#CC(/C=N\O)C(N)=O |
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| InChI | InChI=1S/C4H5N3O2/c5-1-3(2-7-9)4(6)8/h2-3,9H,(H2,6,8)/b7-2- |
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| InChIKey | NNSXMLIGBWVRFO-UQCOIBPSSA-N |
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| XLogP | -0.93 |
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| TPSA | 99.47 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 2 |
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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 | 127.10 |
| LogP ≤ 5 | -0.93 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (3Z)-2-cyano-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-2-cyano-3-hydroxyiminopropanamide (CID 87558261) is (3Z)-2-cyano-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-2-cyano-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-2-cyano-3-hydroxyiminopropanamide is N#CC(/C=N\O)C(N)=O.
What is the InChIKey of (3Z)-2-cyano-3-hydroxyiminopropanamide?
The InChIKey is NNSXMLIGBWVRFO-UQCOIBPSSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-1-3(2-7-9)4(6)8/h2-3,9H,(H2,6,8)/b7-2-.
What are the key properties of (3Z)-2-cyano-3-hydroxyiminopropanamide?
(3Z)-2-cyano-3-hydroxyiminopropanamide has a molecular weight of 127.10 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-cyano-3-hydroxyiminopropanamide is sourced from PubChem (CID 87558261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).