2-(thiophen-2-ylmethylidene)indene-1,3-dione

C14H8O2S — CID 730427

IUPAC2-(thiophen-2-ylmethylidene)indene-1,3-dione
SMILESO=C1C(=Cc2cccs2)C(=O)c2ccccc21
InChIInChI=1S/C14H8O2S/c15-13-10-5-1-2-6-11(10)14(16)12(13)8-9-4-3-7-17-9/h1-8H
InChIKeyTWXXLVDSKBCTBT-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.21
Rot. Bonds1

About 2-(thiophen-2-ylmethylidene)indene-1,3-dione

2-(thiophen-2-ylmethylidene)indene-1,3-dione (PubChem CID 730427) has the molecular formula C14H8O2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylidene)indene-1,3-dione.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylidene)indene-1,3-dione
PubChem CID730427
Molecular FormulaC14H8O2S
Molecular Weight240.28 g/mol
Exact Mass240.02
IUPAC Name2-(thiophen-2-ylmethylidene)indene-1,3-dione
SMILESO=C1C(=Cc2cccs2)C(=O)c2ccccc21
InChIInChI=1S/C14H8O2S/c15-13-10-5-1-2-6-11(10)14(16)12(13)8-9-4-3-7-17-9/h1-8H
InChIKeyTWXXLVDSKBCTBT-UHFFFAOYSA-N
XLogP3.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylidene)indene-1,3-dione?
The IUPAC name of 2-(thiophen-2-ylmethylidene)indene-1,3-dione (CID 730427) is 2-(thiophen-2-ylmethylidene)indene-1,3-dione.
What is the SMILES notation for 2-(thiophen-2-ylmethylidene)indene-1,3-dione?
The canonical SMILES for 2-(thiophen-2-ylmethylidene)indene-1,3-dione is O=C1C(=Cc2cccs2)C(=O)c2ccccc21.
What is the InChIKey of 2-(thiophen-2-ylmethylidene)indene-1,3-dione?
The InChIKey is TWXXLVDSKBCTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2S/c15-13-10-5-1-2-6-11(10)14(16)12(13)8-9-4-3-7-17-9/h1-8H.
What are the key properties of 2-(thiophen-2-ylmethylidene)indene-1,3-dione?
2-(thiophen-2-ylmethylidene)indene-1,3-dione has a molecular weight of 240.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylidene)indene-1,3-dione is sourced from PubChem (CID 730427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).