2,2-dichloro-1-indol-1-ylethanone

C10H7Cl2NO — CID 15325054

IUPAC2,2-dichloro-1-indol-1-ylethanone
SMILESO=C(C(Cl)Cl)n1ccc2ccccc21
InChIInChI=1S/C10H7Cl2NO/c11-9(12)10(14)13-6-5-7-3-1-2-4-8(7)13/h1-6,9H
InChIKeySFLIZCITMWHZDX-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.09
Rot. Bonds1

About 2,2-dichloro-1-indol-1-ylethanone

2,2-dichloro-1-indol-1-ylethanone (PubChem CID 15325054) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 2,2-dichloro-1-indol-1-ylethanone.

Molecular Properties

Compound Name2,2-dichloro-1-indol-1-ylethanone
PubChem CID15325054
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name2,2-dichloro-1-indol-1-ylethanone
SMILESO=C(C(Cl)Cl)n1ccc2ccccc21
InChIInChI=1S/C10H7Cl2NO/c11-9(12)10(14)13-6-5-7-3-1-2-4-8(7)13/h1-6,9H
InChIKeySFLIZCITMWHZDX-UHFFFAOYSA-N
XLogP3.09
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-indol-1-ylethanone?
The IUPAC name of 2,2-dichloro-1-indol-1-ylethanone (CID 15325054) is 2,2-dichloro-1-indol-1-ylethanone.
What is the SMILES notation for 2,2-dichloro-1-indol-1-ylethanone?
The canonical SMILES for 2,2-dichloro-1-indol-1-ylethanone is O=C(C(Cl)Cl)n1ccc2ccccc21.
What is the InChIKey of 2,2-dichloro-1-indol-1-ylethanone?
The InChIKey is SFLIZCITMWHZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-9(12)10(14)13-6-5-7-3-1-2-4-8(7)13/h1-6,9H.
What are the key properties of 2,2-dichloro-1-indol-1-ylethanone?
2,2-dichloro-1-indol-1-ylethanone has a molecular weight of 228.08 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-indol-1-ylethanone is sourced from PubChem (CID 15325054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).