About potassium (E)-2-cyanoprop-1-en-1-olate
potassium (E)-2-cyanoprop-1-en-1-olate (PubChem CID 59075416) has the molecular formula C4H4KNO
and a molecular weight of 121.18 g/mol. Its IUPAC name is potassium (E)-2-cyanoprop-1-en-1-olate.
Molecular Properties
| Compound Name | potassium (E)-2-cyanoprop-1-en-1-olate |
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| PubChem CID | 59075416 |
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| Molecular Formula | C4H4KNO |
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| Molecular Weight | 121.18 g/mol |
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| Exact Mass | 120.99 |
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| IUPAC Name | potassium (E)-2-cyanoprop-1-en-1-olate |
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| SMILES | C/C(C#N)=C\[O-].[K+] |
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| InChI | InChI=1S/C4H5NO.K/c1-4(2-5)3-6;/h3,6H,1H3;/q;+1/p-1/b4-3+; |
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| InChIKey | DWNQLPVWNIVKAB-BJILWQEISA-M |
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| XLogP | -3.22 |
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| TPSA | 46.85 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 121.18 |
| LogP ≤ 5 | -3.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of potassium (E)-2-cyanoprop-1-en-1-olate?
The IUPAC name of potassium (E)-2-cyanoprop-1-en-1-olate (CID 59075416) is potassium (E)-2-cyanoprop-1-en-1-olate.
What is the SMILES notation for potassium (E)-2-cyanoprop-1-en-1-olate?
The canonical SMILES for potassium (E)-2-cyanoprop-1-en-1-olate is C/C(C#N)=C\[O-].[K+].
What is the InChIKey of potassium (E)-2-cyanoprop-1-en-1-olate?
The InChIKey is DWNQLPVWNIVKAB-BJILWQEISA-M. The full InChI is InChI=1S/C4H5NO.K/c1-4(2-5)3-6;/h3,6H,1H3;/q;+1/p-1/b4-3+;.
What are the key properties of potassium (E)-2-cyanoprop-1-en-1-olate?
potassium (E)-2-cyanoprop-1-en-1-olate has a molecular weight of 121.18 g/mol, XLogP of -3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (E)-2-cyanoprop-1-en-1-olate is sourced from PubChem (CID 59075416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).