1-(2,2-dichloroacetyl)-3H-indol-2-one

C10H7Cl2NO2 — CID 11791397

IUPAC1-(2,2-dichloroacetyl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C(=O)C(Cl)Cl
InChIInChI=1S/C10H7Cl2NO2/c11-9(12)10(15)13-7-4-2-1-3-6(7)5-8(13)14/h1-4,9H,5H2
InChIKeyMAYDTQJAJFUYPN-UHFFFAOYSA-N
MW244.08 g/mol
LogP1.91
Rot. Bonds1

About 1-(2,2-dichloroacetyl)-3H-indol-2-one

1-(2,2-dichloroacetyl)-3H-indol-2-one (PubChem CID 11791397) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is 1-(2,2-dichloroacetyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(2,2-dichloroacetyl)-3H-indol-2-one
PubChem CID11791397
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name1-(2,2-dichloroacetyl)-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1C(=O)C(Cl)Cl
InChIInChI=1S/C10H7Cl2NO2/c11-9(12)10(15)13-7-4-2-1-3-6(7)5-8(13)14/h1-4,9H,5H2
InChIKeyMAYDTQJAJFUYPN-UHFFFAOYSA-N
XLogP1.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-oxo-3H-indole-1-carboxylate
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CID 165088007
CID 165088007
2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
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1-(2-hydroxyethyl)-3H-indol-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dichloroacetyl)-3H-indol-2-one?
The IUPAC name of 1-(2,2-dichloroacetyl)-3H-indol-2-one (CID 11791397) is 1-(2,2-dichloroacetyl)-3H-indol-2-one.
What is the SMILES notation for 1-(2,2-dichloroacetyl)-3H-indol-2-one?
The canonical SMILES for 1-(2,2-dichloroacetyl)-3H-indol-2-one is O=C1Cc2ccccc2N1C(=O)C(Cl)Cl.
What is the InChIKey of 1-(2,2-dichloroacetyl)-3H-indol-2-one?
The InChIKey is MAYDTQJAJFUYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c11-9(12)10(15)13-7-4-2-1-3-6(7)5-8(13)14/h1-4,9H,5H2.
What are the key properties of 1-(2,2-dichloroacetyl)-3H-indol-2-one?
1-(2,2-dichloroacetyl)-3H-indol-2-one has a molecular weight of 244.08 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dichloroacetyl)-3H-indol-2-one is sourced from PubChem (CID 11791397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).