2-chloro-2-ethylindole

C10H10ClN — CID 142666503

IUPAC2-chloro-2-ethylindole
SMILESCCC1(Cl)C=c2ccccc2=N1
InChIInChI=1S/C10H10ClN/c1-2-10(11)7-8-5-3-4-6-9(8)12-10/h3-7H,2H2,1H3
InChIKeyNKLLOMMRNSCNLF-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.45
Rot. Bonds1

About 2-chloro-2-ethylindole

2-chloro-2-ethylindole (PubChem CID 142666503) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-chloro-2-ethylindole.

Molecular Properties

Compound Name2-chloro-2-ethylindole
PubChem CID142666503
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name2-chloro-2-ethylindole
SMILESCCC1(Cl)C=c2ccccc2=N1
InChIInChI=1S/C10H10ClN/c1-2-10(11)7-8-5-3-4-6-9(8)12-10/h3-7H,2H2,1H3
InChIKeyNKLLOMMRNSCNLF-UHFFFAOYSA-N
XLogP1.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-ethylindole?
The IUPAC name of 2-chloro-2-ethylindole (CID 142666503) is 2-chloro-2-ethylindole.
What is the SMILES notation for 2-chloro-2-ethylindole?
The canonical SMILES for 2-chloro-2-ethylindole is CCC1(Cl)C=c2ccccc2=N1.
What is the InChIKey of 2-chloro-2-ethylindole?
The InChIKey is NKLLOMMRNSCNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN/c1-2-10(11)7-8-5-3-4-6-9(8)12-10/h3-7H,2H2,1H3.
What are the key properties of 2-chloro-2-ethylindole?
2-chloro-2-ethylindole has a molecular weight of 179.65 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-ethylindole is sourced from PubChem (CID 142666503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).