2,2,3-trimethylindole

C11H13N — CID 101318478

IUPAC2,2,3-trimethylindole
SMILESCC1=c2ccccc2=NC1(C)C
InChIInChI=1S/C11H13N/c1-8-9-6-4-5-7-10(9)12-11(8,2)3/h4-7H,1-3H3
InChIKeyGJHICPXUIGLIAQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.27
Rot. Bonds

About 2,2,3-trimethylindole

2,2,3-trimethylindole (PubChem CID 101318478) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2,2,3-trimethylindole.

Molecular Properties

Compound Name2,2,3-trimethylindole
PubChem CID101318478
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2,2,3-trimethylindole
SMILESCC1=c2ccccc2=NC1(C)C
InChIInChI=1S/C11H13N/c1-8-9-6-4-5-7-10(9)12-11(8,2)3/h4-7H,1-3H3
InChIKeyGJHICPXUIGLIAQ-UHFFFAOYSA-N
XLogP1.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8aH-carbazole
CID 9548747
2H-Indole
CID 19013146
2H-carbazole
CID 19830578
Methyleneindole
CID 20077160
Cyclopentacarbazole
CID 21887528
2-Methylindol-2-ylium
CID 57054412
2-methyl-2H-indole
CID 58371059
2-Prop-2-enylideneindole
CID 88403583
2-Methylindolethiol
CID 129741743
2,2-Difluoroindole;ethane
CID 161017715
2-(2-Fluoropropan-2-yl)-2-methylbenzimidazole
CID 173118008
5-fluoro-2-methyl-2H-indole
CID 173150045

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylindole?
The IUPAC name of 2,2,3-trimethylindole (CID 101318478) is 2,2,3-trimethylindole.
What is the SMILES notation for 2,2,3-trimethylindole?
The canonical SMILES for 2,2,3-trimethylindole is CC1=c2ccccc2=NC1(C)C.
What is the InChIKey of 2,2,3-trimethylindole?
The InChIKey is GJHICPXUIGLIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-9-6-4-5-7-10(9)12-11(8,2)3/h4-7H,1-3H3.
What are the key properties of 2,2,3-trimethylindole?
2,2,3-trimethylindole has a molecular weight of 159.23 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylindole is sourced from PubChem (CID 101318478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).