2-oxo-1,3-dihydroindole-6-carbonyl chloride

C9H6ClNO2 — CID 141361971

IUPAC2-oxo-1,3-dihydroindole-6-carbonyl chloride
SMILESO=C1Cc2ccc(C(=O)Cl)cc2N1
InChIInChI=1S/C9H6ClNO2/c10-9(13)6-2-1-5-4-8(12)11-7(5)3-6/h1-3H,4H2,(H,11,12)
InChIKeyJCIGZPUXJILGPG-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.56
Rot. Bonds1

About 2-oxo-1,3-dihydroindole-6-carbonyl chloride

2-oxo-1,3-dihydroindole-6-carbonyl chloride (PubChem CID 141361971) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-oxo-1,3-dihydroindole-6-carbonyl chloride.

Molecular Properties

Compound Name2-oxo-1,3-dihydroindole-6-carbonyl chloride
PubChem CID141361971
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name2-oxo-1,3-dihydroindole-6-carbonyl chloride
SMILESO=C1Cc2ccc(C(=O)Cl)cc2N1
InChIInChI=1S/C9H6ClNO2/c10-9(13)6-2-1-5-4-8(12)11-7(5)3-6/h1-3H,4H2,(H,11,12)
InChIKeyJCIGZPUXJILGPG-UHFFFAOYSA-N
XLogP1.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1,3-dihydroindole-6-carbonyl chloride?
The IUPAC name of 2-oxo-1,3-dihydroindole-6-carbonyl chloride (CID 141361971) is 2-oxo-1,3-dihydroindole-6-carbonyl chloride.
What is the SMILES notation for 2-oxo-1,3-dihydroindole-6-carbonyl chloride?
The canonical SMILES for 2-oxo-1,3-dihydroindole-6-carbonyl chloride is O=C1Cc2ccc(C(=O)Cl)cc2N1.
What is the InChIKey of 2-oxo-1,3-dihydroindole-6-carbonyl chloride?
The InChIKey is JCIGZPUXJILGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-9(13)6-2-1-5-4-8(12)11-7(5)3-6/h1-3H,4H2,(H,11,12).
What are the key properties of 2-oxo-1,3-dihydroindole-6-carbonyl chloride?
2-oxo-1,3-dihydroindole-6-carbonyl chloride has a molecular weight of 195.61 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-dihydroindole-6-carbonyl chloride is sourced from PubChem (CID 141361971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).