5-bromo-7-methoxy-1,3-dihydroindol-2-one

C9H8BrNO2 — CID 117209514

IUPAC5-bromo-7-methoxy-1,3-dihydroindol-2-one
SMILESCOc1cc(Br)cc2c1NC(=O)C2
InChIInChI=1S/C9H8BrNO2/c1-13-7-4-6(10)2-5-3-8(12)11-9(5)7/h2,4H,3H2,1H3,(H,11,12)
InChIKeyBKUJJUFNTYIDPI-UHFFFAOYSA-N
MW242.07 g/mol
LogP1.95
Rot. Bonds1

About 5-bromo-7-methoxy-1,3-dihydroindol-2-one

5-bromo-7-methoxy-1,3-dihydroindol-2-one (PubChem CID 117209514) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 5-bromo-7-methoxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-bromo-7-methoxy-1,3-dihydroindol-2-one
PubChem CID117209514
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name5-bromo-7-methoxy-1,3-dihydroindol-2-one
SMILESCOc1cc(Br)cc2c1NC(=O)C2
InChIInChI=1S/C9H8BrNO2/c1-13-7-4-6(10)2-5-3-8(12)11-9(5)7/h2,4H,3H2,1H3,(H,11,12)
InChIKeyBKUJJUFNTYIDPI-UHFFFAOYSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-7-methoxy-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methoxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-bromo-7-methoxy-1,3-dihydroindol-2-one (CID 117209514) is 5-bromo-7-methoxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-bromo-7-methoxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-bromo-7-methoxy-1,3-dihydroindol-2-one is COc1cc(Br)cc2c1NC(=O)C2.
What is the InChIKey of 5-bromo-7-methoxy-1,3-dihydroindol-2-one?
The InChIKey is BKUJJUFNTYIDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c1-13-7-4-6(10)2-5-3-8(12)11-9(5)7/h2,4H,3H2,1H3,(H,11,12).
What are the key properties of 5-bromo-7-methoxy-1,3-dihydroindol-2-one?
5-bromo-7-methoxy-1,3-dihydroindol-2-one has a molecular weight of 242.07 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methoxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 117209514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).