3,4-dichloroindol-2-one

C8H3Cl2NO — CID 139892000

IUPAC3,4-dichloroindol-2-one
SMILESO=C1N=c2cccc(Cl)c2=C1Cl
InChIInChI=1S/C8H3Cl2NO/c9-4-2-1-3-5-6(4)7(10)8(12)11-5/h1-3H
InChIKeyHVRPLNVLCPLGNE-UHFFFAOYSA-N
MW200.02 g/mol
LogP0.85
Rot. Bonds

About 3,4-dichloroindol-2-one

3,4-dichloroindol-2-one (PubChem CID 139892000) has the molecular formula C8H3Cl2NO and a molecular weight of 200.02 g/mol. Its IUPAC name is 3,4-dichloroindol-2-one.

Molecular Properties

Compound Name3,4-dichloroindol-2-one
PubChem CID139892000
Molecular FormulaC8H3Cl2NO
Molecular Weight200.02 g/mol
Exact Mass198.96
IUPAC Name3,4-dichloroindol-2-one
SMILESO=C1N=c2cccc(Cl)c2=C1Cl
InChIInChI=1S/C8H3Cl2NO/c9-4-2-1-3-5-6(4)7(10)8(12)11-5/h1-3H
InChIKeyHVRPLNVLCPLGNE-UHFFFAOYSA-N
XLogP0.85
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.02
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloroindol-2-one?
The IUPAC name of 3,4-dichloroindol-2-one (CID 139892000) is 3,4-dichloroindol-2-one.
What is the SMILES notation for 3,4-dichloroindol-2-one?
The canonical SMILES for 3,4-dichloroindol-2-one is O=C1N=c2cccc(Cl)c2=C1Cl.
What is the InChIKey of 3,4-dichloroindol-2-one?
The InChIKey is HVRPLNVLCPLGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2NO/c9-4-2-1-3-5-6(4)7(10)8(12)11-5/h1-3H.
What are the key properties of 3,4-dichloroindol-2-one?
3,4-dichloroindol-2-one has a molecular weight of 200.02 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloroindol-2-one is sourced from PubChem (CID 139892000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).