5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one

C13H8INOS — CID 57139698

IUPAC5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1=Cc1ccsc1
InChIInChI=1S/C13H8INOS/c14-9-1-2-12-10(6-9)11(13(16)15-12)5-8-3-4-17-7-8/h1-7H,(H,15,16)
InChIKeyPSINDSZUFVDWSU-UHFFFAOYSA-N
MW353.18 g/mol
LogP3.85
Rot. Bonds1

About 5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one

5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one (PubChem CID 57139698) has the molecular formula C13H8INOS and a molecular weight of 353.18 g/mol. Its IUPAC name is 5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one
PubChem CID57139698
Molecular FormulaC13H8INOS
Molecular Weight353.18 g/mol
Exact Mass352.94
IUPAC Name5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(I)cc2C1=Cc1ccsc1
InChIInChI=1S/C13H8INOS/c14-9-1-2-12-10(6-9)11(13(16)15-12)5-8-3-4-17-7-8/h1-7H,(H,15,16)
InChIKeyPSINDSZUFVDWSU-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one (CID 57139698) is 5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(I)cc2C1=Cc1ccsc1.
What is the InChIKey of 5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one?
The InChIKey is PSINDSZUFVDWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8INOS/c14-9-1-2-12-10(6-9)11(13(16)15-12)5-8-3-4-17-7-8/h1-7H,(H,15,16).
What are the key properties of 5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one?
5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one has a molecular weight of 353.18 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(thiophen-3-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 57139698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).