(2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one

C13H8O2S — CID 5351175

IUPAC(2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccs2)Oc2ccccc21
InChIInChI=1S/C13H8O2S/c14-13-10-5-1-2-6-11(10)15-12(13)8-9-4-3-7-16-9/h1-8H/b12-8-
InChIKeyISQISRDFDBUCKK-WQLSENKSSA-N
MW228.27 g/mol
LogP3.36
Rot. Bonds1

About (2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one

(2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one (PubChem CID 5351175) has the molecular formula C13H8O2S and a molecular weight of 228.27 g/mol. Its IUPAC name is (2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one
PubChem CID5351175
Molecular FormulaC13H8O2S
Molecular Weight228.27 g/mol
Exact Mass228.02
IUPAC Name(2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccs2)Oc2ccccc21
InChIInChI=1S/C13H8O2S/c14-13-10-5-1-2-6-11(10)15-12(13)8-9-4-3-7-16-9/h1-8H/b12-8-
InChIKeyISQISRDFDBUCKK-WQLSENKSSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one (CID 5351175) is (2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one is O=C1/C(=C/c2cccs2)Oc2ccccc21.
What is the InChIKey of (2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one?
The InChIKey is ISQISRDFDBUCKK-WQLSENKSSA-N. The full InChI is InChI=1S/C13H8O2S/c14-13-10-5-1-2-6-11(10)15-12(13)8-9-4-3-7-16-9/h1-8H/b12-8-.
What are the key properties of (2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one?
(2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one has a molecular weight of 228.27 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one is sourced from PubChem (CID 5351175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).