1-(thiophen-2-ylmethyl)indole-2,3-dione

C13H9NO2S — CID 2996126

IUPAC1-(thiophen-2-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccs2)c2ccccc21
InChIInChI=1S/C13H9NO2S/c15-12-10-5-1-2-6-11(10)14(13(12)16)8-9-4-3-7-17-9/h1-7H,8H2
InChIKeyQPHPMPRHESVMJK-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.48
Rot. Bonds2

About 1-(thiophen-2-ylmethyl)indole-2,3-dione

1-(thiophen-2-ylmethyl)indole-2,3-dione (PubChem CID 2996126) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)indole-2,3-dione
PubChem CID2996126
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name1-(thiophen-2-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2cccs2)c2ccccc21
InChIInChI=1S/C13H9NO2S/c15-12-10-5-1-2-6-11(10)14(13(12)16)8-9-4-3-7-17-9/h1-7H,8H2
InChIKeyQPHPMPRHESVMJK-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.48
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-2-ylmethyl)indole-2,3-dione?
The IUPAC name of 1-(thiophen-2-ylmethyl)indole-2,3-dione (CID 2996126) is 1-(thiophen-2-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)indole-2,3-dione?
The canonical SMILES for 1-(thiophen-2-ylmethyl)indole-2,3-dione is O=C1C(=O)N(Cc2cccs2)c2ccccc21.
What is the InChIKey of 1-(thiophen-2-ylmethyl)indole-2,3-dione?
The InChIKey is QPHPMPRHESVMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-12-10-5-1-2-6-11(10)14(13(12)16)8-9-4-3-7-17-9/h1-7H,8H2.
What are the key properties of 1-(thiophen-2-ylmethyl)indole-2,3-dione?
1-(thiophen-2-ylmethyl)indole-2,3-dione has a molecular weight of 243.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 2996126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).