(5E)-5-(thiophen-2-ylmethylidene)furan-2-one

C9H6O2S — CID 12733525

IUPAC(5E)-5-(thiophen-2-ylmethylidene)furan-2-one
SMILESO=C1C=C/C(=C\c2cccs2)O1
InChIInChI=1S/C9H6O2S/c10-9-4-3-7(11-9)6-8-2-1-5-12-8/h1-6H/b7-6+
InChIKeyRHXJKWTXLYWXEE-VOTSOKGWSA-N
MW178.21 g/mol
LogP2.20
Rot. Bonds1

About (5E)-5-(thiophen-2-ylmethylidene)furan-2-one

(5E)-5-(thiophen-2-ylmethylidene)furan-2-one (PubChem CID 12733525) has the molecular formula C9H6O2S and a molecular weight of 178.21 g/mol. Its IUPAC name is (5E)-5-(thiophen-2-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name(5E)-5-(thiophen-2-ylmethylidene)furan-2-one
PubChem CID12733525
Molecular FormulaC9H6O2S
Molecular Weight178.21 g/mol
Exact Mass178.01
IUPAC Name(5E)-5-(thiophen-2-ylmethylidene)furan-2-one
SMILESO=C1C=C/C(=C\c2cccs2)O1
InChIInChI=1S/C9H6O2S/c10-9-4-3-7(11-9)6-8-2-1-5-12-8/h1-6H/b7-6+
InChIKeyRHXJKWTXLYWXEE-VOTSOKGWSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(Z)-5-((5-Methyl-2-thienyl)methylene)-2(5H)-furanone
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6-[(1E,3E,5E,7E)-8-(3-chlorothiophen-2-yl)octa-1,3,5,7-tetraenyl]-4-methoxypyran-2-one
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methyl (2E,4E,6E)-3,5-dimethoxy-4-methyl-7-thiophen-2-ylhepta-2,4,6-trienoate
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(2S)-2-thiophen-2-yl-2H-furan-5-one
CID 70684647
2-thiophen-2-yl-2H-furan-5-one
CID 70697191
Methyl 5-thiophen-2-ylpent-2-en-4-ynoate
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5-(Dithiophen-2-ylmethylidene)furan-2-one
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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(thiophen-2-ylmethylidene)furan-2-one?
The IUPAC name of (5E)-5-(thiophen-2-ylmethylidene)furan-2-one (CID 12733525) is (5E)-5-(thiophen-2-ylmethylidene)furan-2-one.
What is the SMILES notation for (5E)-5-(thiophen-2-ylmethylidene)furan-2-one?
The canonical SMILES for (5E)-5-(thiophen-2-ylmethylidene)furan-2-one is O=C1C=C/C(=C\c2cccs2)O1.
What is the InChIKey of (5E)-5-(thiophen-2-ylmethylidene)furan-2-one?
The InChIKey is RHXJKWTXLYWXEE-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H6O2S/c10-9-4-3-7(11-9)6-8-2-1-5-12-8/h1-6H/b7-6+.
What are the key properties of (5E)-5-(thiophen-2-ylmethylidene)furan-2-one?
(5E)-5-(thiophen-2-ylmethylidene)furan-2-one has a molecular weight of 178.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(thiophen-2-ylmethylidene)furan-2-one is sourced from PubChem (CID 12733525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).