About 1,2,3,6-tetrahydropyridin-6-ol
1,2,3,6-tetrahydropyridin-6-ol (PubChem CID 154296914) has the molecular formula C5H9NO
and a molecular weight of 99.13 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridin-6-ol.
Molecular Properties
| Compound Name | 1,2,3,6-tetrahydropyridin-6-ol |
|---|
| PubChem CID | 154296914 |
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| Molecular Formula | C5H9NO |
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| Molecular Weight | 99.13 g/mol |
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| Exact Mass | 99.07 |
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| IUPAC Name | 1,2,3,6-tetrahydropyridin-6-ol |
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| SMILES | OC1C=CCCN1 |
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| InChI | InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1,3,5-7H,2,4H2 |
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| InChIKey | WGLGUFKJUHTRSE-UHFFFAOYSA-N |
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| XLogP | -0.15 |
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| TPSA | 32.26 Ų |
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| H-Bond Donors | 2 |
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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 | 99.13 |
| LogP ≤ 5 | -0.15 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1,2,3,6-tetrahydropyridin-6-ol?
The IUPAC name of 1,2,3,6-tetrahydropyridin-6-ol (CID 154296914) is 1,2,3,6-tetrahydropyridin-6-ol.
What is the SMILES notation for 1,2,3,6-tetrahydropyridin-6-ol?
The canonical SMILES for 1,2,3,6-tetrahydropyridin-6-ol is OC1C=CCCN1.
What is the InChIKey of 1,2,3,6-tetrahydropyridin-6-ol?
The InChIKey is WGLGUFKJUHTRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1,3,5-7H,2,4H2.
What are the key properties of 1,2,3,6-tetrahydropyridin-6-ol?
1,2,3,6-tetrahydropyridin-6-ol has a molecular weight of 99.13 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridin-6-ol is sourced from PubChem (CID 154296914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).