3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one

C13H11NOS — CID 2803153

IUPAC3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1Cc1cccs1
InChIInChI=1S/C13H11NOS/c15-13-11(8-9-4-3-7-16-9)10-5-1-2-6-12(10)14-13/h1-7,11H,8H2,(H,14,15)
InChIKeyLMYJZLPZMDKYGL-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.03
Rot. Bonds2

About 3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one

3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one (PubChem CID 2803153) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
PubChem CID2803153
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1Cc1cccs1
InChIInChI=1S/C13H11NOS/c15-13-11(8-9-4-3-7-16-9)10-5-1-2-6-12(10)14-13/h1-7,11H,8H2,(H,14,15)
InChIKeyLMYJZLPZMDKYGL-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one (CID 2803153) is 3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1Cc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one?
The InChIKey is LMYJZLPZMDKYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c15-13-11(8-9-4-3-7-16-9)10-5-1-2-6-12(10)14-13/h1-7,11H,8H2,(H,14,15).
What are the key properties of 3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one?
3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one has a molecular weight of 229.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 2803153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).