(5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one

C10H8O2S — CID 11469583

IUPAC(5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one
SMILESCc1ccc(/C=C2\C=CC(=O)O2)s1
InChIInChI=1S/C10H8O2S/c1-7-2-4-9(13-7)6-8-3-5-10(11)12-8/h2-6H,1H3/b8-6+
InChIKeyYBBZWBTVSIDANF-SOFGYWHQSA-N
MW192.24 g/mol
LogP2.51
Rot. Bonds1

About (5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one

(5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one (PubChem CID 11469583) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is (5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one.

Molecular Properties

Compound Name(5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one
PubChem CID11469583
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name(5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one
SMILESCc1ccc(/C=C2\C=CC(=O)O2)s1
InChIInChI=1S/C10H8O2S/c1-7-2-4-9(13-7)6-8-3-5-10(11)12-8/h2-6H,1H3/b8-6+
InChIKeyYBBZWBTVSIDANF-SOFGYWHQSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one?
The IUPAC name of (5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one (CID 11469583) is (5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one.
What is the SMILES notation for (5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one?
The canonical SMILES for (5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one is Cc1ccc(/C=C2\C=CC(=O)O2)s1.
What is the InChIKey of (5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one?
The InChIKey is YBBZWBTVSIDANF-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H8O2S/c1-7-2-4-9(13-7)6-8-3-5-10(11)12-8/h2-6H,1H3/b8-6+.
What are the key properties of (5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one?
(5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one has a molecular weight of 192.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one is sourced from PubChem (CID 11469583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).