4-chloro-2-propan-2-yl-3H-indole

C11H12ClN — CID 158458565

IUPAC4-chloro-2-propan-2-yl-3H-indole
SMILESCC(C)C1=Nc2cccc(Cl)c2C1
InChIInChI=1S/C11H12ClN/c1-7(2)11-6-8-9(12)4-3-5-10(8)13-11/h3-5,7H,6H2,1-2H3
InChIKeyHEWLJUYUAGZVNN-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.62
Rot. Bonds1

About 4-chloro-2-propan-2-yl-3H-indole

4-chloro-2-propan-2-yl-3H-indole (PubChem CID 158458565) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-3H-indole.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-3H-indole
PubChem CID158458565
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name4-chloro-2-propan-2-yl-3H-indole
SMILESCC(C)C1=Nc2cccc(Cl)c2C1
InChIInChI=1S/C11H12ClN/c1-7(2)11-6-8-9(12)4-3-5-10(8)13-11/h3-5,7H,6H2,1-2H3
InChIKeyHEWLJUYUAGZVNN-UHFFFAOYSA-N
XLogP3.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-3H-indole?
The IUPAC name of 4-chloro-2-propan-2-yl-3H-indole (CID 158458565) is 4-chloro-2-propan-2-yl-3H-indole.
What is the SMILES notation for 4-chloro-2-propan-2-yl-3H-indole?
The canonical SMILES for 4-chloro-2-propan-2-yl-3H-indole is CC(C)C1=Nc2cccc(Cl)c2C1.
What is the InChIKey of 4-chloro-2-propan-2-yl-3H-indole?
The InChIKey is HEWLJUYUAGZVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-7(2)11-6-8-9(12)4-3-5-10(8)13-11/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-chloro-2-propan-2-yl-3H-indole?
4-chloro-2-propan-2-yl-3H-indole has a molecular weight of 193.68 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-3H-indole is sourced from PubChem (CID 158458565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).