3-hydroxy-4-prop-2-enylfuran-2,5-dione

C7H6O4 — CID 54678505

IUPAC3-hydroxy-4-prop-2-enylfuran-2,5-dione
SMILESC=CCC1=C(O)C(=O)OC1=O
InChIInChI=1S/C7H6O4/c1-2-3-4-5(8)7(10)11-6(4)9/h2,8H,1,3H2
InChIKeyWGQBIVSKXLZBGT-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.46
Rot. Bonds2

About 3-hydroxy-4-prop-2-enylfuran-2,5-dione

3-hydroxy-4-prop-2-enylfuran-2,5-dione (PubChem CID 54678505) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is 3-hydroxy-4-prop-2-enylfuran-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-prop-2-enylfuran-2,5-dione
PubChem CID54678505
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name3-hydroxy-4-prop-2-enylfuran-2,5-dione
SMILESC=CCC1=C(O)C(=O)OC1=O
InChIInChI=1S/C7H6O4/c1-2-3-4-5(8)7(10)11-6(4)9/h2,8H,1,3H2
InChIKeyWGQBIVSKXLZBGT-UHFFFAOYSA-N
XLogP0.46
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Hkudfflygmmkkq-vurmdhgxsa-
CID 5356390
5-oxo-4-prop-2-enyl-2H-furan-3-olate
CID 134830830
3-Ethyl-4-hydroxyfuran-2,5-dione
CID 76764562
3-hydroxy-4-prop-2-enyl-2H-furan-5-one
CID 69546644
bis(prop-2-enyl) (Z)-2-ethyl-3-hydroxybut-2-enedioate
CID 138567114
Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate
CID 244761
ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate
CID 6391163
ethyl 2-ethenyl-4-hydroxy-5-oxo-2H-furan-3-carboxylate
CID 54677928

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-prop-2-enylfuran-2,5-dione?
The IUPAC name of 3-hydroxy-4-prop-2-enylfuran-2,5-dione (CID 54678505) is 3-hydroxy-4-prop-2-enylfuran-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-prop-2-enylfuran-2,5-dione?
The canonical SMILES for 3-hydroxy-4-prop-2-enylfuran-2,5-dione is C=CCC1=C(O)C(=O)OC1=O.
What is the InChIKey of 3-hydroxy-4-prop-2-enylfuran-2,5-dione?
The InChIKey is WGQBIVSKXLZBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c1-2-3-4-5(8)7(10)11-6(4)9/h2,8H,1,3H2.
What are the key properties of 3-hydroxy-4-prop-2-enylfuran-2,5-dione?
3-hydroxy-4-prop-2-enylfuran-2,5-dione has a molecular weight of 154.12 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-prop-2-enylfuran-2,5-dione is sourced from PubChem (CID 54678505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).