About 2,5-dihydroxycyclopent-3-en-1-one
2,5-dihydroxycyclopent-3-en-1-one (PubChem CID 22660626) has the molecular formula C5H6O3
and a molecular weight of 114.10 g/mol. Its IUPAC name is 2,5-dihydroxycyclopent-3-en-1-one.
Molecular Properties
| Compound Name | 2,5-dihydroxycyclopent-3-en-1-one |
|---|
| PubChem CID | 22660626 |
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| Molecular Formula | C5H6O3 |
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| Molecular Weight | 114.10 g/mol |
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| Exact Mass | 114.03 |
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| IUPAC Name | 2,5-dihydroxycyclopent-3-en-1-one |
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| SMILES | O=C1C(O)C=CC1O |
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| InChI | InChI=1S/C5H6O3/c6-3-1-2-4(7)5(3)8/h1-4,6-7H |
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| InChIKey | UPENCGODZBLVDL-UHFFFAOYSA-N |
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| XLogP | -1.15 |
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| TPSA | 57.53 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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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 |
|---|
| MW ≤ 500 | 114.10 |
| LogP ≤ 5 | -1.15 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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 2,5-dihydroxycyclopent-3-en-1-one?
The IUPAC name of 2,5-dihydroxycyclopent-3-en-1-one (CID 22660626) is 2,5-dihydroxycyclopent-3-en-1-one.
What is the SMILES notation for 2,5-dihydroxycyclopent-3-en-1-one?
The canonical SMILES for 2,5-dihydroxycyclopent-3-en-1-one is O=C1C(O)C=CC1O.
What is the InChIKey of 2,5-dihydroxycyclopent-3-en-1-one?
The InChIKey is UPENCGODZBLVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c6-3-1-2-4(7)5(3)8/h1-4,6-7H.
What are the key properties of 2,5-dihydroxycyclopent-3-en-1-one?
2,5-dihydroxycyclopent-3-en-1-one has a molecular weight of 114.10 g/mol, XLogP of -1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxycyclopent-3-en-1-one is sourced from PubChem (CID 22660626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).