3-(2-bromophenyl)imino-1H-indol-2-one

C14H9BrN2O — CID 135412567

IUPAC3-(2-bromophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccccc1Br
InChIInChI=1S/C14H9BrN2O/c15-10-6-2-4-8-12(10)16-13-9-5-1-3-7-11(9)17-14(13)18/h1-8H,(H,16,17,18)
InChIKeyAIHFMODGKKPMHY-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.52
Rot. Bonds1

About 3-(2-bromophenyl)imino-1H-indol-2-one

3-(2-bromophenyl)imino-1H-indol-2-one (PubChem CID 135412567) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-(2-bromophenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(2-bromophenyl)imino-1H-indol-2-one
PubChem CID135412567
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name3-(2-bromophenyl)imino-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=N/c1ccccc1Br
InChIInChI=1S/C14H9BrN2O/c15-10-6-2-4-8-12(10)16-13-9-5-1-3-7-11(9)17-14(13)18/h1-8H,(H,16,17,18)
InChIKeyAIHFMODGKKPMHY-UHFFFAOYSA-N
XLogP3.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(2-bromophenyl)imino-1H-indol-2-one (CID 135412567) is 3-(2-bromophenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(2-bromophenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(2-bromophenyl)imino-1H-indol-2-one is O=C1Nc2ccccc2/C1=N/c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)imino-1H-indol-2-one?
The InChIKey is AIHFMODGKKPMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-10-6-2-4-8-12(10)16-13-9-5-1-3-7-11(9)17-14(13)18/h1-8H,(H,16,17,18).
What are the key properties of 3-(2-bromophenyl)imino-1H-indol-2-one?
3-(2-bromophenyl)imino-1H-indol-2-one has a molecular weight of 301.14 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135412567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).