4,7-dichloro-1,2-dihydroindol-3-one

C8H5Cl2NO — CID 96619517

IUPAC4,7-dichloro-1,2-dihydroindol-3-one
SMILESO=C1CNc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C8H5Cl2NO/c9-4-1-2-5(10)8-7(4)6(12)3-11-8/h1-2,11H,3H2
InChIKeyVUKGTGLCPIKNPO-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.60
Rot. Bonds

About 4,7-dichloro-1,2-dihydroindol-3-one

4,7-dichloro-1,2-dihydroindol-3-one (PubChem CID 96619517) has the molecular formula C8H5Cl2NO and a molecular weight of 202.04 g/mol. Its IUPAC name is 4,7-dichloro-1,2-dihydroindol-3-one.

Molecular Properties

Compound Name4,7-dichloro-1,2-dihydroindol-3-one
PubChem CID96619517
Molecular FormulaC8H5Cl2NO
Molecular Weight202.04 g/mol
Exact Mass200.97
IUPAC Name4,7-dichloro-1,2-dihydroindol-3-one
SMILESO=C1CNc2c(Cl)ccc(Cl)c21
InChIInChI=1S/C8H5Cl2NO/c9-4-1-2-5(10)8-7(4)6(12)3-11-8/h1-2,11H,3H2
InChIKeyVUKGTGLCPIKNPO-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,7-dichloro-1,2-dihydroindol-3-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 4,7-dichloro-1,2-dihydroindol-3-one?
The IUPAC name of 4,7-dichloro-1,2-dihydroindol-3-one (CID 96619517) is 4,7-dichloro-1,2-dihydroindol-3-one.
What is the SMILES notation for 4,7-dichloro-1,2-dihydroindol-3-one?
The canonical SMILES for 4,7-dichloro-1,2-dihydroindol-3-one is O=C1CNc2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4,7-dichloro-1,2-dihydroindol-3-one?
The InChIKey is VUKGTGLCPIKNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO/c9-4-1-2-5(10)8-7(4)6(12)3-11-8/h1-2,11H,3H2.
What are the key properties of 4,7-dichloro-1,2-dihydroindol-3-one?
4,7-dichloro-1,2-dihydroindol-3-one has a molecular weight of 202.04 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1,2-dihydroindol-3-one is sourced from PubChem (CID 96619517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).