6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one

C13H8BrNOSe — CID 74943437

IUPAC6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1=Cc1ccc[se]1
InChIInChI=1S/C13H8BrNOSe/c14-8-3-4-10-11(7-9-2-1-5-17-9)13(16)15-12(10)6-8/h1-7H,(H,15,16)
InChIKeyGAXQLLYLFJLWOX-UHFFFAOYSA-N
MW353.08 g/mol
LogP3.00
Rot. Bonds1

About 6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one

6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one (PubChem CID 74943437) has the molecular formula C13H8BrNOSe and a molecular weight of 353.08 g/mol. Its IUPAC name is 6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one
PubChem CID74943437
Molecular FormulaC13H8BrNOSe
Molecular Weight353.08 g/mol
Exact Mass352.90
IUPAC Name6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1=Cc1ccc[se]1
InChIInChI=1S/C13H8BrNOSe/c14-8-3-4-10-11(7-9-2-1-5-17-9)13(16)15-12(10)6-8/h1-7H,(H,15,16)
InChIKeyGAXQLLYLFJLWOX-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.08
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one (CID 74943437) is 6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2cc(Br)ccc2C1=Cc1ccc[se]1.
What is the InChIKey of 6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is GAXQLLYLFJLWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNOSe/c14-8-3-4-10-11(7-9-2-1-5-17-9)13(16)15-12(10)6-8/h1-7H,(H,15,16).
What are the key properties of 6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one?
6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 353.08 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 74943437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).