5-thiophen-2-yl-1,3-dihydroindol-2-one

C12H9NOS — CID 16637508

IUPAC5-thiophen-2-yl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3cccs3)ccc2N1
InChIInChI=1S/C12H9NOS/c14-12-7-9-6-8(3-4-10(9)13-12)11-2-1-5-15-11/h1-6H,7H2,(H,13,14)
InChIKeyRXXJBDYWKIOAPJ-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.91
Rot. Bonds1

About 5-thiophen-2-yl-1,3-dihydroindol-2-one

5-thiophen-2-yl-1,3-dihydroindol-2-one (PubChem CID 16637508) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-thiophen-2-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-thiophen-2-yl-1,3-dihydroindol-2-one
PubChem CID16637508
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name5-thiophen-2-yl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3cccs3)ccc2N1
InChIInChI=1S/C12H9NOS/c14-12-7-9-6-8(3-4-10(9)13-12)11-2-1-5-15-11/h1-6H,7H2,(H,13,14)
InChIKeyRXXJBDYWKIOAPJ-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1,3-dihydroindol-2-one?
The IUPAC name of 5-thiophen-2-yl-1,3-dihydroindol-2-one (CID 16637508) is 5-thiophen-2-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-thiophen-2-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-thiophen-2-yl-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3cccs3)ccc2N1.
What is the InChIKey of 5-thiophen-2-yl-1,3-dihydroindol-2-one?
The InChIKey is RXXJBDYWKIOAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c14-12-7-9-6-8(3-4-10(9)13-12)11-2-1-5-15-11/h1-6H,7H2,(H,13,14).
What are the key properties of 5-thiophen-2-yl-1,3-dihydroindol-2-one?
5-thiophen-2-yl-1,3-dihydroindol-2-one has a molecular weight of 215.28 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 16637508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).