5-(2-chloroacetyl)indol-2-one

C10H6ClNO2 — CID 87688826

IUPAC5-(2-chloroacetyl)indol-2-one
SMILESO=C1C=c2cc(C(=O)CCl)ccc2=N1
InChIInChI=1S/C10H6ClNO2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-4H,5H2
InChIKeyCLHOFHBOZWKYJQ-UHFFFAOYSA-N
MW207.62 g/mol
LogP0.05
Rot. Bonds2

About 5-(2-chloroacetyl)indol-2-one

5-(2-chloroacetyl)indol-2-one (PubChem CID 87688826) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is 5-(2-chloroacetyl)indol-2-one.

Molecular Properties

Compound Name5-(2-chloroacetyl)indol-2-one
PubChem CID87688826
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name5-(2-chloroacetyl)indol-2-one
SMILESO=C1C=c2cc(C(=O)CCl)ccc2=N1
InChIInChI=1S/C10H6ClNO2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-4H,5H2
InChIKeyCLHOFHBOZWKYJQ-UHFFFAOYSA-N
XLogP0.05
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 50.05
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 5-(2-chloroacetyl)indol-2-one?
The IUPAC name of 5-(2-chloroacetyl)indol-2-one (CID 87688826) is 5-(2-chloroacetyl)indol-2-one.
What is the SMILES notation for 5-(2-chloroacetyl)indol-2-one?
The canonical SMILES for 5-(2-chloroacetyl)indol-2-one is O=C1C=c2cc(C(=O)CCl)ccc2=N1.
What is the InChIKey of 5-(2-chloroacetyl)indol-2-one?
The InChIKey is CLHOFHBOZWKYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-4H,5H2.
What are the key properties of 5-(2-chloroacetyl)indol-2-one?
5-(2-chloroacetyl)indol-2-one has a molecular weight of 207.62 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroacetyl)indol-2-one is sourced from PubChem (CID 87688826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).