About 4,5-dihydroxycyclopent-4-ene-1,2,3-trione
4,5-dihydroxycyclopent-4-ene-1,2,3-trione (PubChem CID 546874) has the molecular formula C5H2O5
and a molecular weight of 142.07 g/mol. Its IUPAC name is 4,5-dihydroxycyclopent-4-ene-1,2,3-trione.
Molecular Properties
| Compound Name | 4,5-dihydroxycyclopent-4-ene-1,2,3-trione |
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| PubChem CID | 546874 |
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| Molecular Formula | C5H2O5 |
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| Molecular Weight | 142.07 g/mol |
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| Exact Mass | 141.99 |
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| IUPAC Name | 4,5-dihydroxycyclopent-4-ene-1,2,3-trione |
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| SMILES | O=c1c(O)c(O)c(=O)c1=O |
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| InChI | InChI=1S/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h6-7H |
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| InChIKey | RBSLJAJQOVYTRQ-UHFFFAOYSA-N |
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| XLogP | -1.95 |
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| TPSA | 91.67 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 142.07 |
| LogP ≤ 5 | -1.95 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione?
The IUPAC name of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione (CID 546874) is 4,5-dihydroxycyclopent-4-ene-1,2,3-trione.
What is the SMILES notation for 4,5-dihydroxycyclopent-4-ene-1,2,3-trione?
The canonical SMILES for 4,5-dihydroxycyclopent-4-ene-1,2,3-trione is O=c1c(O)c(O)c(=O)c1=O.
What is the InChIKey of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione?
The InChIKey is RBSLJAJQOVYTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h6-7H.
What are the key properties of 4,5-dihydroxycyclopent-4-ene-1,2,3-trione?
4,5-dihydroxycyclopent-4-ene-1,2,3-trione has a molecular weight of 142.07 g/mol, XLogP of -1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxycyclopent-4-ene-1,2,3-trione is sourced from PubChem (CID 546874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).