About 5-aminopent-1-en-3-ol
5-aminopent-1-en-3-ol (PubChem CID 13031981) has the molecular formula C5H11NO
and a molecular weight of 101.15 g/mol. Its IUPAC name is 5-aminopent-1-en-3-ol.
Molecular Properties
| Compound Name | 5-aminopent-1-en-3-ol |
|---|
| PubChem CID | 13031981 |
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| Molecular Formula | C5H11NO |
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| Molecular Weight | 101.15 g/mol |
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| Exact Mass | 101.08 |
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| IUPAC Name | 5-aminopent-1-en-3-ol |
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| SMILES | C=CC(O)CCN |
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| InChI | InChI=1S/C5H11NO/c1-2-5(7)3-4-6/h2,5,7H,1,3-4,6H2 |
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| InChIKey | GTYDVILRLCJUHL-UHFFFAOYSA-N |
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| XLogP | -0.12 |
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| TPSA | 46.25 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
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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 | 101.15 |
| LogP ≤ 5 | -0.12 |
| 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 5-aminopent-1-en-3-ol?
The IUPAC name of 5-aminopent-1-en-3-ol (CID 13031981) is 5-aminopent-1-en-3-ol.
What is the SMILES notation for 5-aminopent-1-en-3-ol?
The canonical SMILES for 5-aminopent-1-en-3-ol is C=CC(O)CCN.
What is the InChIKey of 5-aminopent-1-en-3-ol?
The InChIKey is GTYDVILRLCJUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-2-5(7)3-4-6/h2,5,7H,1,3-4,6H2.
What are the key properties of 5-aminopent-1-en-3-ol?
5-aminopent-1-en-3-ol has a molecular weight of 101.15 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopent-1-en-3-ol is sourced from PubChem (CID 13031981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).