About 1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol
1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol (PubChem CID 143375419) has the molecular formula C6H9NO
and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol.
Molecular Properties
| Compound Name | 1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol |
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| PubChem CID | 143375419 |
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| Molecular Formula | C6H9NO |
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| Molecular Weight | 111.14 g/mol |
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| Exact Mass | 111.07 |
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| IUPAC Name | 1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol |
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| SMILES | C=C(O)/N=C\C=C/C |
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| InChI | InChI=1S/C6H9NO/c1-3-4-5-7-6(2)8/h3-5,8H,2H2,1H3/b4-3-,7-5- |
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| InChIKey | MANWRJNKYHWJQX-MRWCJKGFSA-N |
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| XLogP | 1.66 |
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| TPSA | 32.59 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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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 | 111.14 |
| LogP ≤ 5 | 1.66 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol?
The IUPAC name of 1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol (CID 143375419) is 1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol.
What is the SMILES notation for 1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol?
The canonical SMILES for 1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol is C=C(O)/N=C\C=C/C.
What is the InChIKey of 1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol?
The InChIKey is MANWRJNKYHWJQX-MRWCJKGFSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-4-5-7-6(2)8/h3-5,8H,2H2,1H3/b4-3-,7-5-.
What are the key properties of 1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol?
1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol has a molecular weight of 111.14 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol is sourced from PubChem (CID 143375419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).