3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione

C9H10O4 — CID 88516781

IUPAC3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione
SMILESC=C(C)C1=C(OCC)C(=O)OC1=O
InChIInChI=1S/C9H10O4/c1-4-12-7-6(5(2)3)8(10)13-9(7)11/h2,4H2,1,3H3
InChIKeyCZKJXDDUTGMJAB-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.94
Rot. Bonds3

About 3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione

3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione (PubChem CID 88516781) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione.

Molecular Properties

Compound Name3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione
PubChem CID88516781
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione
SMILESC=C(C)C1=C(OCC)C(=O)OC1=O
InChIInChI=1S/C9H10O4/c1-4-12-7-6(5(2)3)8(10)13-9(7)11/h2,4H2,1,3H3
InChIKeyCZKJXDDUTGMJAB-UHFFFAOYSA-N
XLogP0.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione?
The IUPAC name of 3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione (CID 88516781) is 3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione.
What is the SMILES notation for 3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione?
The canonical SMILES for 3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione is C=C(C)C1=C(OCC)C(=O)OC1=O.
What is the InChIKey of 3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione?
The InChIKey is CZKJXDDUTGMJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-4-12-7-6(5(2)3)8(10)13-9(7)11/h2,4H2,1,3H3.
What are the key properties of 3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione?
3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione has a molecular weight of 182.17 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-prop-1-en-2-ylfuran-2,5-dione is sourced from PubChem (CID 88516781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).