5-chloro-3,3-dimethylindole

C10H10ClN — CID 22609005

IUPAC5-chloro-3,3-dimethylindole
SMILESCC1(C)C=Nc2ccc(Cl)cc21
InChIInChI=1S/C10H10ClN/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-6H,1-2H3
InChIKeyJULZOFICDLNFNL-UHFFFAOYSA-N
MW179.65 g/mol
LogP3.33
Rot. Bonds

About 5-chloro-3,3-dimethylindole

5-chloro-3,3-dimethylindole (PubChem CID 22609005) has the molecular formula C10H10ClN and a molecular weight of 179.65 g/mol. Its IUPAC name is 5-chloro-3,3-dimethylindole.

Molecular Properties

Compound Name5-chloro-3,3-dimethylindole
PubChem CID22609005
Molecular FormulaC10H10ClN
Molecular Weight179.65 g/mol
Exact Mass179.05
IUPAC Name5-chloro-3,3-dimethylindole
SMILESCC1(C)C=Nc2ccc(Cl)cc21
InChIInChI=1S/C10H10ClN/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-6H,1-2H3
InChIKeyJULZOFICDLNFNL-UHFFFAOYSA-N
XLogP3.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,3-dimethylindole?
The IUPAC name of 5-chloro-3,3-dimethylindole (CID 22609005) is 5-chloro-3,3-dimethylindole.
What is the SMILES notation for 5-chloro-3,3-dimethylindole?
The canonical SMILES for 5-chloro-3,3-dimethylindole is CC1(C)C=Nc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3,3-dimethylindole?
The InChIKey is JULZOFICDLNFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-6H,1-2H3.
What are the key properties of 5-chloro-3,3-dimethylindole?
5-chloro-3,3-dimethylindole has a molecular weight of 179.65 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,3-dimethylindole is sourced from PubChem (CID 22609005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).