ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate

C10H12O4 — CID 24974269

IUPACethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate
SMILESC/C=C1/OC(=O)C(C(=O)OCC)=C1C
InChIInChI=1S/C10H12O4/c1-4-7-6(3)8(10(12)14-7)9(11)13-5-2/h4H,5H2,1-3H3/b7-4+
InChIKeyCGDFVFAFXNUWIW-QPJJXVBHSA-N
MW196.20 g/mol
LogP1.33
Rot. Bonds2

About ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate

ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate (PubChem CID 24974269) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate.

Molecular Properties

Compound Nameethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate
PubChem CID24974269
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Nameethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate
SMILESC/C=C1/OC(=O)C(C(=O)OCC)=C1C
InChIInChI=1S/C10H12O4/c1-4-7-6(3)8(10(12)14-7)9(11)13-5-2/h4H,5H2,1-3H3/b7-4+
InChIKeyCGDFVFAFXNUWIW-QPJJXVBHSA-N
XLogP1.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

3-(Methoxycarbonyl)-2H-cyclohepta[b]furan-2-one
CID 10081616
2H-Furo[3,4-b]pyran-2,5(7H)-dione, 7-ethyl-4-methoxy-, (7S)-
CID 10242206
Lavjuismiztlgi-uhfffaoysa-
CID 11492190
Cladobotrin III
CID 10264193
Ethyl 5,5-dimethyl-2-oxo-2,5-dihydrofuran-3-carboxylate
CID 339158
(5Z)-4-methyl-5-(3-methylbut-2-enylidene)-2-oxofuran-3-carboxylic acid
CID 168279802
Cladobotrin II
CID 10058877
8-Acetoxy pestalopyrone
CID 53254546
4-Methoxy-5-methyl-6-oxo-2-prop-1-enylpyran-3-carbaldehyde
CID 85106894
Infectopyrone B
CID 139587599
Methyl 3-(3-formyl-4-methoxy-5-methyl-6-oxopyran-2-yl)prop-2-enoate
CID 162949311
Ethyl 2-oxo-2H-cyclohepta[b]furan-3-carboxylate
CID 589812

Frequently Asked Questions

What is the IUPAC name of ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate?
The IUPAC name of ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate (CID 24974269) is ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate.
What is the SMILES notation for ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate?
The canonical SMILES for ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate is C/C=C1/OC(=O)C(C(=O)OCC)=C1C.
What is the InChIKey of ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate?
The InChIKey is CGDFVFAFXNUWIW-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H12O4/c1-4-7-6(3)8(10(12)14-7)9(11)13-5-2/h4H,5H2,1-3H3/b7-4+.
What are the key properties of ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate?
ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate has a molecular weight of 196.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate is sourced from PubChem (CID 24974269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).