(E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one

C13H12O2S — CID 71722047

IUPAC(E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccsc2)o1
InChIInChI=1S/C13H12O2S/c1-2-11-3-4-12(15-11)5-6-13(14)10-7-8-16-9-10/h3-9H,2H2,1H3/b6-5+
InChIKeySCSVBWGGUBEXOY-AATRIKPKSA-N
MW232.30 g/mol
LogP3.80
Rot. Bonds4

About (E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one

(E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one (PubChem CID 71722047) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is (E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one
PubChem CID71722047
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name(E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccsc2)o1
InChIInChI=1S/C13H12O2S/c1-2-11-3-4-12(15-11)5-6-13(14)10-7-8-16-9-10/h3-9H,2H2,1H3/b6-5+
InChIKeySCSVBWGGUBEXOY-AATRIKPKSA-N
XLogP3.80
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Thienyl)furan
CID 526176
3-(5-Thiophen-2-yl-furan-2-yl)-propionic acid
CID 709558
(2E)-3-(furan-2-yl)-1-(thiophen-2-yl)prop-2-en-1-one
CID 5338978
1-(2-Furyl)-3-(2-thienyl)-2-propen-1-one
CID 5370228
2,5-Di-(2'-thienyl)furan
CID 137385
3-(4-Methoxyphenyl)-1-(2-thienyl)-2-propen-1-one
CID 5723925
4-Acetylphenyl 2-thiophenecarboxylate
CID 766060
Dimethyl 2-({5-[2-(methoxycarbonyl)-3-thienyl]-2-furyl}methylidene)malonate
CID 2739709
(2E)-3-(4-Ethoxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one
CID 5344702
4-(Benzylsulfanyl)-2,6-dimethylpyran-1-ium iodide
CID 3057989
4-Propylphenyl 2-thiophenecarboxylate
CID 734131
4-Propionylphenyl 2-thiophenecarboxylate
CID 811700

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one (CID 71722047) is (E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one is CCc1ccc(/C=C/C(=O)c2ccsc2)o1.
What is the InChIKey of (E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one?
The InChIKey is SCSVBWGGUBEXOY-AATRIKPKSA-N. The full InChI is InChI=1S/C13H12O2S/c1-2-11-3-4-12(15-11)5-6-13(14)10-7-8-16-9-10/h3-9H,2H2,1H3/b6-5+.
What are the key properties of (E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one?
(E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one has a molecular weight of 232.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-ethylfuran-2-yl)-1-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 71722047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).