3-ethyl-2,3-dimethylindole

C12H15N — CID 594165

IUPAC3-ethyl-2,3-dimethylindole
SMILESCCC1(C)C(C)=Nc2ccccc21
InChIInChI=1S/C12H15N/c1-4-12(3)9(2)13-11-8-6-5-7-10(11)12/h5-8H,4H2,1-3H3
InChIKeyLVCJOTSREMDVNB-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.46
Rot. Bonds1

About 3-ethyl-2,3-dimethylindole

3-ethyl-2,3-dimethylindole (PubChem CID 594165) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-ethyl-2,3-dimethylindole.

Molecular Properties

Compound Name3-ethyl-2,3-dimethylindole
PubChem CID594165
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name3-ethyl-2,3-dimethylindole
SMILESCCC1(C)C(C)=Nc2ccccc21
InChIInChI=1S/C12H15N/c1-4-12(3)9(2)13-11-8-6-5-7-10(11)12/h5-8H,4H2,1-3H3
InChIKeyLVCJOTSREMDVNB-UHFFFAOYSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,3-dimethylindole?
The IUPAC name of 3-ethyl-2,3-dimethylindole (CID 594165) is 3-ethyl-2,3-dimethylindole.
What is the SMILES notation for 3-ethyl-2,3-dimethylindole?
The canonical SMILES for 3-ethyl-2,3-dimethylindole is CCC1(C)C(C)=Nc2ccccc21.
What is the InChIKey of 3-ethyl-2,3-dimethylindole?
The InChIKey is LVCJOTSREMDVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-4-12(3)9(2)13-11-8-6-5-7-10(11)12/h5-8H,4H2,1-3H3.
What are the key properties of 3-ethyl-2,3-dimethylindole?
3-ethyl-2,3-dimethylindole has a molecular weight of 173.26 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,3-dimethylindole is sourced from PubChem (CID 594165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).