3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione

C17H12N2O2S — CID 5327668

IUPAC3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccs3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C17H12N2O2S/c1-19-9-11(10-5-2-3-6-12(10)19)14-15(13-7-4-8-22-13)17(21)18-16(14)20/h2-9H,1H3,(H,18,20,21)
InChIKeySHHFWYXUKQGJFE-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.81
Rot. Bonds2

About 3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione (PubChem CID 5327668) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione
PubChem CID5327668
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cccs3)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C17H12N2O2S/c1-19-9-11(10-5-2-3-6-12(10)19)14-15(13-7-4-8-22-13)17(21)18-16(14)20/h2-9H,1H3,(H,18,20,21)
InChIKeySHHFWYXUKQGJFE-UHFFFAOYSA-N
XLogP2.81
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione (CID 5327668) is 3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione is Cn1cc(C2=C(c3cccs3)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
The InChIKey is SHHFWYXUKQGJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c1-19-9-11(10-5-2-3-6-12(10)19)14-15(13-7-4-8-22-13)17(21)18-16(14)20/h2-9H,1H3,(H,18,20,21).
What are the key properties of 3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione has a molecular weight of 308.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-thiophen-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 5327668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).