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

C11H7IO2S — CID 2892037

IUPAC3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(I)o1)c1cccs1
InChIInChI=1S/C11H7IO2S/c12-11-6-4-8(14-11)3-5-9(13)10-2-1-7-15-10/h1-7H
InChIKeyYQQOACVWGWZJSB-UHFFFAOYSA-N
MW330.15 g/mol
LogP3.84
Rot. Bonds3

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

3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one (PubChem CID 2892037) has the molecular formula C11H7IO2S and a molecular weight of 330.15 g/mol. Its IUPAC name is 3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one
PubChem CID2892037
Molecular FormulaC11H7IO2S
Molecular Weight330.15 g/mol
Exact Mass329.92
IUPAC Name3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1ccc(I)o1)c1cccs1
InChIInChI=1S/C11H7IO2S/c12-11-6-4-8(14-11)3-5-9(13)10-2-1-7-15-10/h1-7H
InChIKeyYQQOACVWGWZJSB-UHFFFAOYSA-N
XLogP3.84
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-(3-chlorophenyl)furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 5344040
(Z)-3-(5-morpholin-4-ylfuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one
CID 93045512
3-[4-(3-oxo-3-thiophen-2-ylprop-1-enyl)phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 71356375
(E)-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 19544674
(E)-3-[5-[(2-chlorophenoxy)methyl]furan-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 19544697
ethyl 4-[5-(3-oxo-3-thiophen-2-ylprop-1-enyl)furan-2-yl]benzoate
CID 4736129
(E)-3-(2-hydroxyphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 5387158
(E)-1-thiophen-2-ylbut-2-en-1-one
CID 5385859
(E)-3-(2-methylphenyl)-1-thiophen-2-ylprop-2-en-1-one
CID 19544633
3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 4227278
(Z)-3-(5-iodofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 93286349
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214

Frequently Asked Questions

What is the IUPAC name of 3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of 3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one (CID 2892037) is 3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for 3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one is O=C(C=Cc1ccc(I)o1)c1cccs1.
What is the InChIKey of 3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
The InChIKey is YQQOACVWGWZJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7IO2S/c12-11-6-4-8(14-11)3-5-9(13)10-2-1-7-15-10/h1-7H.
What are the key properties of 3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one?
3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one has a molecular weight of 330.15 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-iodofuran-2-yl)-1-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 2892037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).