ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate

C11H14O5 — CID 101415780

IUPACethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate
SMILESCCCC1=C(O)C(=O)O/C1=C\C(=O)OCC
InChIInChI=1S/C11H14O5/c1-3-5-7-8(6-9(12)15-4-2)16-11(14)10(7)13/h6,13H,3-5H2,1-2H3/b8-6-
InChIKeyZHQKPWGCAJPAIZ-VURMDHGXSA-N
MW226.23 g/mol
LogP1.60
Rot. Bonds4

About ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate

ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate (PubChem CID 101415780) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate
PubChem CID101415780
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Nameethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate
SMILESCCCC1=C(O)C(=O)O/C1=C\C(=O)OCC
InChIInChI=1S/C11H14O5/c1-3-5-7-8(6-9(12)15-4-2)16-11(14)10(7)13/h6,13H,3-5H2,1-2H3/b8-6-
InChIKeyZHQKPWGCAJPAIZ-VURMDHGXSA-N
XLogP1.60
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate 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 ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate (CID 101415780) is ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate is CCCC1=C(O)C(=O)O/C1=C\C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate?
The InChIKey is ZHQKPWGCAJPAIZ-VURMDHGXSA-N. The full InChI is InChI=1S/C11H14O5/c1-3-5-7-8(6-9(12)15-4-2)16-11(14)10(7)13/h6,13H,3-5H2,1-2H3/b8-6-.
What are the key properties of ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate?
ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate has a molecular weight of 226.23 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(4-hydroxy-5-oxo-3-propylfuran-2-ylidene)acetate is sourced from PubChem (CID 101415780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).