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

C8H5Cl2NO — CID 21282084

IUPAC4,7-dichloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(Cl)ccc(Cl)c2N1
InChIInChI=1S/C8H5Cl2NO/c9-5-1-2-6(10)8-4(5)3-7(12)11-8/h1-2H,3H2,(H,11,12)
InChIKeyLVXWMUMMJRHVPF-UHFFFAOYSA-N
MW202.04 g/mol
LogP2.49
Rot. Bonds

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

4,7-dichloro-1,3-dihydroindol-2-one (PubChem CID 21282084) has the molecular formula C8H5Cl2NO and a molecular weight of 202.04 g/mol. Its IUPAC name is 4,7-dichloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4,7-dichloro-1,3-dihydroindol-2-one
PubChem CID21282084
Molecular FormulaC8H5Cl2NO
Molecular Weight202.04 g/mol
Exact Mass200.97
IUPAC Name4,7-dichloro-1,3-dihydroindol-2-one
SMILESO=C1Cc2c(Cl)ccc(Cl)c2N1
InChIInChI=1S/C8H5Cl2NO/c9-5-1-2-6(10)8-4(5)3-7(12)11-8/h1-2H,3H2,(H,11,12)
InChIKeyLVXWMUMMJRHVPF-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1,3-dihydroindol-2-one?
The IUPAC name of 4,7-dichloro-1,3-dihydroindol-2-one (CID 21282084) is 4,7-dichloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 4,7-dichloro-1,3-dihydroindol-2-one?
The canonical SMILES for 4,7-dichloro-1,3-dihydroindol-2-one is O=C1Cc2c(Cl)ccc(Cl)c2N1.
What is the InChIKey of 4,7-dichloro-1,3-dihydroindol-2-one?
The InChIKey is LVXWMUMMJRHVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO/c9-5-1-2-6(10)8-4(5)3-7(12)11-8/h1-2H,3H2,(H,11,12).
What are the key properties of 4,7-dichloro-1,3-dihydroindol-2-one?
4,7-dichloro-1,3-dihydroindol-2-one has a molecular weight of 202.04 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 21282084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).