3,3-dimethylindole

C10H11N — CID 2752615

IUPAC3,3-dimethylindole
SMILESCC1(C)C=Nc2ccccc21
InChIInChI=1S/C10H11N/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-7H,1-2H3
InChIKeyGTZVMEHLIMDKTK-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.68
Rot. Bonds

About 3,3-dimethylindole

3,3-dimethylindole (PubChem CID 2752615) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3,3-dimethylindole.

Molecular Properties

Compound Name3,3-dimethylindole
PubChem CID2752615
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3,3-dimethylindole
SMILESCC1(C)C=Nc2ccccc21
InChIInChI=1S/C10H11N/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-7H,1-2H3
InChIKeyGTZVMEHLIMDKTK-UHFFFAOYSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylindole?
The IUPAC name of 3,3-dimethylindole (CID 2752615) is 3,3-dimethylindole.
What is the SMILES notation for 3,3-dimethylindole?
The canonical SMILES for 3,3-dimethylindole is CC1(C)C=Nc2ccccc21.
What is the InChIKey of 3,3-dimethylindole?
The InChIKey is GTZVMEHLIMDKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-10(2)7-11-9-6-4-3-5-8(9)10/h3-7H,1-2H3.
What are the key properties of 3,3-dimethylindole?
3,3-dimethylindole has a molecular weight of 145.20 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylindole is sourced from PubChem (CID 2752615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).