4-chloro-2,3,3-trimethylindole

C11H12ClN — CID 22223244

IUPAC4-chloro-2,3,3-trimethylindole
SMILESCC1=Nc2cccc(Cl)c2C1(C)C
InChIInChI=1S/C11H12ClN/c1-7-11(2,3)10-8(12)5-4-6-9(10)13-7/h4-6H,1-3H3
InChIKeyVBSYZJVLFZNHHY-UHFFFAOYSA-N
MW193.68 g/mol
LogP3.72
Rot. Bonds

About 4-chloro-2,3,3-trimethylindole

4-chloro-2,3,3-trimethylindole (PubChem CID 22223244) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 4-chloro-2,3,3-trimethylindole.

Molecular Properties

Compound Name4-chloro-2,3,3-trimethylindole
PubChem CID22223244
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name4-chloro-2,3,3-trimethylindole
SMILESCC1=Nc2cccc(Cl)c2C1(C)C
InChIInChI=1S/C11H12ClN/c1-7-11(2,3)10-8(12)5-4-6-9(10)13-7/h4-6H,1-3H3
InChIKeyVBSYZJVLFZNHHY-UHFFFAOYSA-N
XLogP3.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3,3-trimethylindole?
The IUPAC name of 4-chloro-2,3,3-trimethylindole (CID 22223244) is 4-chloro-2,3,3-trimethylindole.
What is the SMILES notation for 4-chloro-2,3,3-trimethylindole?
The canonical SMILES for 4-chloro-2,3,3-trimethylindole is CC1=Nc2cccc(Cl)c2C1(C)C.
What is the InChIKey of 4-chloro-2,3,3-trimethylindole?
The InChIKey is VBSYZJVLFZNHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c1-7-11(2,3)10-8(12)5-4-6-9(10)13-7/h4-6H,1-3H3.
What are the key properties of 4-chloro-2,3,3-trimethylindole?
4-chloro-2,3,3-trimethylindole has a molecular weight of 193.68 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3,3-trimethylindole is sourced from PubChem (CID 22223244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).