1-thiophen-3-ylindole-2,3-dione

C12H7NO2S — CID 22022431

IUPAC1-thiophen-3-ylindole-2,3-dione
SMILESO=C1C(=O)N(c2ccsc2)c2ccccc21
InChIInChI=1S/C12H7NO2S/c14-11-9-3-1-2-4-10(9)13(12(11)15)8-5-6-16-7-8/h1-7H
InChIKeyLVOWFWVRAPVYDX-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.61
Rot. Bonds1

About 1-thiophen-3-ylindole-2,3-dione

1-thiophen-3-ylindole-2,3-dione (PubChem CID 22022431) has the molecular formula C12H7NO2S and a molecular weight of 229.26 g/mol. Its IUPAC name is 1-thiophen-3-ylindole-2,3-dione.

Molecular Properties

Compound Name1-thiophen-3-ylindole-2,3-dione
PubChem CID22022431
Molecular FormulaC12H7NO2S
Molecular Weight229.26 g/mol
Exact Mass229.02
IUPAC Name1-thiophen-3-ylindole-2,3-dione
SMILESO=C1C(=O)N(c2ccsc2)c2ccccc21
InChIInChI=1S/C12H7NO2S/c14-11-9-3-1-2-4-10(9)13(12(11)15)8-5-6-16-7-8/h1-7H
InChIKeyLVOWFWVRAPVYDX-UHFFFAOYSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylindole-2,3-dione?
The IUPAC name of 1-thiophen-3-ylindole-2,3-dione (CID 22022431) is 1-thiophen-3-ylindole-2,3-dione.
What is the SMILES notation for 1-thiophen-3-ylindole-2,3-dione?
The canonical SMILES for 1-thiophen-3-ylindole-2,3-dione is O=C1C(=O)N(c2ccsc2)c2ccccc21.
What is the InChIKey of 1-thiophen-3-ylindole-2,3-dione?
The InChIKey is LVOWFWVRAPVYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2S/c14-11-9-3-1-2-4-10(9)13(12(11)15)8-5-6-16-7-8/h1-7H.
What are the key properties of 1-thiophen-3-ylindole-2,3-dione?
1-thiophen-3-ylindole-2,3-dione has a molecular weight of 229.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylindole-2,3-dione is sourced from PubChem (CID 22022431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).