6,8-dichloro-1H-benzo[cd]indol-2-one

C11H5Cl2NO — CID 723285

IUPAC6,8-dichloro-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2c(Cl)cc(Cl)c3cccc1c23
InChIInChI=1S/C11H5Cl2NO/c12-7-4-8(13)10-9-5(7)2-1-3-6(9)11(15)14-10/h1-4H,(H,14,15)
InChIKeyGODZYKLNGNOANY-UHFFFAOYSA-N
MW238.07 g/mol
LogP3.71
Rot. Bonds

About 6,8-dichloro-1H-benzo[cd]indol-2-one

6,8-dichloro-1H-benzo[cd]indol-2-one (PubChem CID 723285) has the molecular formula C11H5Cl2NO and a molecular weight of 238.07 g/mol. Its IUPAC name is 6,8-dichloro-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name6,8-dichloro-1H-benzo[cd]indol-2-one
PubChem CID723285
Molecular FormulaC11H5Cl2NO
Molecular Weight238.07 g/mol
Exact Mass236.97
IUPAC Name6,8-dichloro-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2c(Cl)cc(Cl)c3cccc1c23
InChIInChI=1S/C11H5Cl2NO/c12-7-4-8(13)10-9-5(7)2-1-3-6(9)11(15)14-10/h1-4H,(H,14,15)
InChIKeyGODZYKLNGNOANY-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1H-benzo[cd]indol-2-one?
The IUPAC name of 6,8-dichloro-1H-benzo[cd]indol-2-one (CID 723285) is 6,8-dichloro-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 6,8-dichloro-1H-benzo[cd]indol-2-one?
The canonical SMILES for 6,8-dichloro-1H-benzo[cd]indol-2-one is O=C1Nc2c(Cl)cc(Cl)c3cccc1c23.
What is the InChIKey of 6,8-dichloro-1H-benzo[cd]indol-2-one?
The InChIKey is GODZYKLNGNOANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2NO/c12-7-4-8(13)10-9-5(7)2-1-3-6(9)11(15)14-10/h1-4H,(H,14,15).
What are the key properties of 6,8-dichloro-1H-benzo[cd]indol-2-one?
6,8-dichloro-1H-benzo[cd]indol-2-one has a molecular weight of 238.07 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 723285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).