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

C10H7Cl2NO — CID 174709775

IUPAC3-chloro-5-(1-chloroethyl)indol-2-one
SMILESCC(Cl)c1ccc2c(c1)=C(Cl)C(=O)N=2
InChIInChI=1S/C10H7Cl2NO/c1-5(11)6-2-3-8-7(4-6)9(12)10(14)13-8/h2-5H,1H3
InChIKeyCZADZAGMZZBYRV-UHFFFAOYSA-N
MW228.08 g/mol
LogP1.49
Rot. Bonds1

About 3-chloro-5-(1-chloroethyl)indol-2-one

3-chloro-5-(1-chloroethyl)indol-2-one (PubChem CID 174709775) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 3-chloro-5-(1-chloroethyl)indol-2-one.

Molecular Properties

Compound Name3-chloro-5-(1-chloroethyl)indol-2-one
PubChem CID174709775
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name3-chloro-5-(1-chloroethyl)indol-2-one
SMILESCC(Cl)c1ccc2c(c1)=C(Cl)C(=O)N=2
InChIInChI=1S/C10H7Cl2NO/c1-5(11)6-2-3-8-7(4-6)9(12)10(14)13-8/h2-5H,1H3
InChIKeyCZADZAGMZZBYRV-UHFFFAOYSA-N
XLogP1.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 51.49
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 3-chloro-5-(1-chloroethyl)indol-2-one?
The IUPAC name of 3-chloro-5-(1-chloroethyl)indol-2-one (CID 174709775) is 3-chloro-5-(1-chloroethyl)indol-2-one.
What is the SMILES notation for 3-chloro-5-(1-chloroethyl)indol-2-one?
The canonical SMILES for 3-chloro-5-(1-chloroethyl)indol-2-one is CC(Cl)c1ccc2c(c1)=C(Cl)C(=O)N=2.
What is the InChIKey of 3-chloro-5-(1-chloroethyl)indol-2-one?
The InChIKey is CZADZAGMZZBYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c1-5(11)6-2-3-8-7(4-6)9(12)10(14)13-8/h2-5H,1H3.
What are the key properties of 3-chloro-5-(1-chloroethyl)indol-2-one?
3-chloro-5-(1-chloroethyl)indol-2-one has a molecular weight of 228.08 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-chloroethyl)indol-2-one is sourced from PubChem (CID 174709775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).