1-methyl-3-thiophen-3-yl-3H-indol-2-one

C13H11NOS — CID 162415220

IUPAC1-methyl-3-thiophen-3-yl-3H-indol-2-one
SMILESCN1C(=O)C(c2ccsc2)c2ccccc21
InChIInChI=1S/C13H11NOS/c1-14-11-5-3-2-4-10(11)12(13(14)15)9-6-7-16-8-9/h2-8,12H,1H3
InChIKeyZMFFRRDRDAJLNP-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.86
Rot. Bonds1

About 1-methyl-3-thiophen-3-yl-3H-indol-2-one

1-methyl-3-thiophen-3-yl-3H-indol-2-one (PubChem CID 162415220) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-methyl-3-thiophen-3-yl-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-3-thiophen-3-yl-3H-indol-2-one
PubChem CID162415220
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name1-methyl-3-thiophen-3-yl-3H-indol-2-one
SMILESCN1C(=O)C(c2ccsc2)c2ccccc21
InChIInChI=1S/C13H11NOS/c1-14-11-5-3-2-4-10(11)12(13(14)15)9-6-7-16-8-9/h2-8,12H,1H3
InChIKeyZMFFRRDRDAJLNP-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-thiophen-3-yl-3H-indol-2-one?
The IUPAC name of 1-methyl-3-thiophen-3-yl-3H-indol-2-one (CID 162415220) is 1-methyl-3-thiophen-3-yl-3H-indol-2-one.
What is the SMILES notation for 1-methyl-3-thiophen-3-yl-3H-indol-2-one?
The canonical SMILES for 1-methyl-3-thiophen-3-yl-3H-indol-2-one is CN1C(=O)C(c2ccsc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-thiophen-3-yl-3H-indol-2-one?
The InChIKey is ZMFFRRDRDAJLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c1-14-11-5-3-2-4-10(11)12(13(14)15)9-6-7-16-8-9/h2-8,12H,1H3.
What are the key properties of 1-methyl-3-thiophen-3-yl-3H-indol-2-one?
1-methyl-3-thiophen-3-yl-3H-indol-2-one has a molecular weight of 229.30 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-thiophen-3-yl-3H-indol-2-one is sourced from PubChem (CID 162415220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).