5-(1-chloroethyl)indol-2-one

C10H8ClNO — CID 69088452

IUPAC5-(1-chloroethyl)indol-2-one
SMILESCC(Cl)c1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C10H8ClNO/c1-6(11)7-2-3-9-8(4-7)5-10(13)12-9/h2-6H,1H3
InChIKeyIFIRXYFQWLHHBA-UHFFFAOYSA-N
MW193.63 g/mol
LogP0.93
Rot. Bonds1

About 5-(1-chloroethyl)indol-2-one

5-(1-chloroethyl)indol-2-one (PubChem CID 69088452) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 5-(1-chloroethyl)indol-2-one.

Molecular Properties

Compound Name5-(1-chloroethyl)indol-2-one
PubChem CID69088452
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name5-(1-chloroethyl)indol-2-one
SMILESCC(Cl)c1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C10H8ClNO/c1-6(11)7-2-3-9-8(4-7)5-10(13)12-9/h2-6H,1H3
InChIKeyIFIRXYFQWLHHBA-UHFFFAOYSA-N
XLogP0.93
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1-chloroethyl)indol-2-one?
The IUPAC name of 5-(1-chloroethyl)indol-2-one (CID 69088452) is 5-(1-chloroethyl)indol-2-one.
What is the SMILES notation for 5-(1-chloroethyl)indol-2-one?
The canonical SMILES for 5-(1-chloroethyl)indol-2-one is CC(Cl)c1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 5-(1-chloroethyl)indol-2-one?
The InChIKey is IFIRXYFQWLHHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-6(11)7-2-3-9-8(4-7)5-10(13)12-9/h2-6H,1H3.
What are the key properties of 5-(1-chloroethyl)indol-2-one?
5-(1-chloroethyl)indol-2-one has a molecular weight of 193.63 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)indol-2-one is sourced from PubChem (CID 69088452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).