6-iodoindol-2-one

C8H4INO — CID 67428015

IUPAC6-iodoindol-2-one
SMILESO=C1C=c2ccc(I)cc2=N1
InChIInChI=1S/C8H4INO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-4H
InChIKeyFWHVRTWXQJMELG-UHFFFAOYSA-N
MW257.03 g/mol
LogP0.23
Rot. Bonds

About 6-iodoindol-2-one

6-iodoindol-2-one (PubChem CID 67428015) has the molecular formula C8H4INO and a molecular weight of 257.03 g/mol. Its IUPAC name is 6-iodoindol-2-one.

Molecular Properties

Compound Name6-iodoindol-2-one
PubChem CID67428015
Molecular FormulaC8H4INO
Molecular Weight257.03 g/mol
Exact Mass256.93
IUPAC Name6-iodoindol-2-one
SMILESO=C1C=c2ccc(I)cc2=N1
InChIInChI=1S/C8H4INO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-4H
InChIKeyFWHVRTWXQJMELG-UHFFFAOYSA-N
XLogP0.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.03
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Indol-2-one
CID 17904787
6-Bromoindole-2-one
CID 22038270
1-Benzazepin-2-one
CID 20244764
Fluoro-indolone
CID 54356889
5-Chloroindole-2-one
CID 20284810
5-Bromoindol-2-one
CID 46739842
6-Chloroindole-2-one
CID 46739848
Benzazoninone
CID 20269004
3-Methyl-oxoindole
CID 21477845
Indolone-1-oxide
CID 21665805
Cyclopenta-(b)-pyridinone
CID 129707027
3-(Trifluoromethyl)indol-2-one
CID 19417810

Frequently Asked Questions

What is the IUPAC name of 6-iodoindol-2-one?
The IUPAC name of 6-iodoindol-2-one (CID 67428015) is 6-iodoindol-2-one.
What is the SMILES notation for 6-iodoindol-2-one?
The canonical SMILES for 6-iodoindol-2-one is O=C1C=c2ccc(I)cc2=N1.
What is the InChIKey of 6-iodoindol-2-one?
The InChIKey is FWHVRTWXQJMELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4INO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-4H.
What are the key properties of 6-iodoindol-2-one?
6-iodoindol-2-one has a molecular weight of 257.03 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodoindol-2-one is sourced from PubChem (CID 67428015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).