5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one

C12H8INOS — CID 90042193

IUPAC5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3ccc(I)s3)ccc2N1
InChIInChI=1S/C12H8INOS/c13-11-4-3-10(16-11)7-1-2-9-8(5-7)6-12(15)14-9/h1-5H,6H2,(H,14,15)
InChIKeyYNGOMYKDZODHPJ-UHFFFAOYSA-N
MW341.17 g/mol
LogP3.51
Rot. Bonds1

About 5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one

5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one (PubChem CID 90042193) has the molecular formula C12H8INOS and a molecular weight of 341.17 g/mol. Its IUPAC name is 5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one
PubChem CID90042193
Molecular FormulaC12H8INOS
Molecular Weight341.17 g/mol
Exact Mass340.94
IUPAC Name5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3ccc(I)s3)ccc2N1
InChIInChI=1S/C12H8INOS/c13-11-4-3-10(16-11)7-1-2-9-8(5-7)6-12(15)14-9/h1-5H,6H2,(H,14,15)
InChIKeyYNGOMYKDZODHPJ-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one (CID 90042193) is 5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3ccc(I)s3)ccc2N1.
What is the InChIKey of 5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one?
The InChIKey is YNGOMYKDZODHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8INOS/c13-11-4-3-10(16-11)7-1-2-9-8(5-7)6-12(15)14-9/h1-5H,6H2,(H,14,15).
What are the key properties of 5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one?
5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one has a molecular weight of 341.17 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-iodothiophen-2-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 90042193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).