3-(4-iodophenyl)imino-1H-indol-2-one

C14H9IN2O — CID 135411934

IUPAC3-(4-iodophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccc(I)cc1
InChIInChI=1S/C14H9IN2O/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H,16,17,18)
InChIKeyGCHQBRYRLIOPLP-UHFFFAOYSA-N
MW348.14 g/mol
LogP3.36
Rot. Bonds1

About 3-(4-iodophenyl)imino-1H-indol-2-one

3-(4-iodophenyl)imino-1H-indol-2-one (PubChem CID 135411934) has the molecular formula C14H9IN2O and a molecular weight of 348.14 g/mol. Its IUPAC name is 3-(4-iodophenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-iodophenyl)imino-1H-indol-2-one
PubChem CID135411934
Molecular FormulaC14H9IN2O
Molecular Weight348.14 g/mol
Exact Mass347.98
IUPAC Name3-(4-iodophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccc(I)cc1
InChIInChI=1S/C14H9IN2O/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H,16,17,18)
InChIKeyGCHQBRYRLIOPLP-UHFFFAOYSA-N
XLogP3.36
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(4-iodophenyl)imino-1H-indol-2-one (CID 135411934) is 3-(4-iodophenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(4-iodophenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(4-iodophenyl)imino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/c1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)imino-1H-indol-2-one?
The InChIKey is GCHQBRYRLIOPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H,16,17,18).
What are the key properties of 3-(4-iodophenyl)imino-1H-indol-2-one?
3-(4-iodophenyl)imino-1H-indol-2-one has a molecular weight of 348.14 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135411934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).