About 1,2-dihydroxy-2H-pyrrol-5-one
1,2-dihydroxy-2H-pyrrol-5-one (PubChem CID 19838066) has the molecular formula C4H5NO3
and a molecular weight of 115.09 g/mol. Its IUPAC name is 1,2-dihydroxy-2H-pyrrol-5-one.
Molecular Properties
| Compound Name | 1,2-dihydroxy-2H-pyrrol-5-one |
|---|
| PubChem CID | 19838066 |
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| Molecular Formula | C4H5NO3 |
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| Molecular Weight | 115.09 g/mol |
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| Exact Mass | 115.03 |
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| IUPAC Name | 1,2-dihydroxy-2H-pyrrol-5-one |
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| SMILES | O=C1C=CC(O)N1O |
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| InChI | InChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h1-3,6,8H |
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| InChIKey | KJHDGVMMPFKHCS-UHFFFAOYSA-N |
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| XLogP | -0.91 |
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| TPSA | 60.77 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 | 115.09 |
| LogP ≤ 5 | -0.91 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1,2-dihydroxy-2H-pyrrol-5-one?
The IUPAC name of 1,2-dihydroxy-2H-pyrrol-5-one (CID 19838066) is 1,2-dihydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1,2-dihydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1,2-dihydroxy-2H-pyrrol-5-one is O=C1C=CC(O)N1O.
What is the InChIKey of 1,2-dihydroxy-2H-pyrrol-5-one?
The InChIKey is KJHDGVMMPFKHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c6-3-1-2-4(7)5(3)8/h1-3,6,8H.
What are the key properties of 1,2-dihydroxy-2H-pyrrol-5-one?
1,2-dihydroxy-2H-pyrrol-5-one has a molecular weight of 115.09 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 19838066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).