4-hydroxy-3H-pyran-2,6-dione

C5H4O4 — CID 54732100

IUPAC4-hydroxy-3H-pyran-2,6-dione
SMILESO=C1C=C(O)CC(=O)O1
InChIInChI=1S/C5H4O4/c6-3-1-4(7)9-5(8)2-3/h1,6H,2H2
InChIKeyHOTUFNXGGMAKEH-UHFFFAOYSA-N
MW128.08 g/mol
LogP-0.10
Rot. Bonds

About 4-hydroxy-3H-pyran-2,6-dione

4-hydroxy-3H-pyran-2,6-dione (PubChem CID 54732100) has the molecular formula C5H4O4 and a molecular weight of 128.08 g/mol. Its IUPAC name is 4-hydroxy-3H-pyran-2,6-dione.

Molecular Properties

Compound Name4-hydroxy-3H-pyran-2,6-dione
PubChem CID54732100
Molecular FormulaC5H4O4
Molecular Weight128.08 g/mol
Exact Mass128.01
IUPAC Name4-hydroxy-3H-pyran-2,6-dione
SMILESO=C1C=C(O)CC(=O)O1
InChIInChI=1S/C5H4O4/c6-3-1-4(7)9-5(8)2-3/h1,6H,2H2
InChIKeyHOTUFNXGGMAKEH-UHFFFAOYSA-N
XLogP-0.10
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.08
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3H-pyran-2,6-dione?
The IUPAC name of 4-hydroxy-3H-pyran-2,6-dione (CID 54732100) is 4-hydroxy-3H-pyran-2,6-dione.
What is the SMILES notation for 4-hydroxy-3H-pyran-2,6-dione?
The canonical SMILES for 4-hydroxy-3H-pyran-2,6-dione is O=C1C=C(O)CC(=O)O1.
What is the InChIKey of 4-hydroxy-3H-pyran-2,6-dione?
The InChIKey is HOTUFNXGGMAKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O4/c6-3-1-4(7)9-5(8)2-3/h1,6H,2H2.
What are the key properties of 4-hydroxy-3H-pyran-2,6-dione?
4-hydroxy-3H-pyran-2,6-dione has a molecular weight of 128.08 g/mol, XLogP of -0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3H-pyran-2,6-dione is sourced from PubChem (CID 54732100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).