2-ethyl-3,3-dimethylindole

C12H15N — CID 589046

IUPAC2-ethyl-3,3-dimethylindole
SMILESCCC1=Nc2ccccc2C1(C)C
InChIInChI=1S/C12H15N/c1-4-11-12(2,3)9-7-5-6-8-10(9)13-11/h5-8H,4H2,1-3H3
InChIKeyYIAAFAZCAVDTRU-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.46
Rot. Bonds1

About 2-ethyl-3,3-dimethylindole

2-ethyl-3,3-dimethylindole (PubChem CID 589046) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-ethyl-3,3-dimethylindole.

Molecular Properties

Compound Name2-ethyl-3,3-dimethylindole
PubChem CID589046
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name2-ethyl-3,3-dimethylindole
SMILESCCC1=Nc2ccccc2C1(C)C
InChIInChI=1S/C12H15N/c1-4-11-12(2,3)9-7-5-6-8-10(9)13-11/h5-8H,4H2,1-3H3
InChIKeyYIAAFAZCAVDTRU-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 2-ethyl-3,3-dimethylindole?
The IUPAC name of 2-ethyl-3,3-dimethylindole (CID 589046) is 2-ethyl-3,3-dimethylindole.
What is the SMILES notation for 2-ethyl-3,3-dimethylindole?
The canonical SMILES for 2-ethyl-3,3-dimethylindole is CCC1=Nc2ccccc2C1(C)C.
What is the InChIKey of 2-ethyl-3,3-dimethylindole?
The InChIKey is YIAAFAZCAVDTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-4-11-12(2,3)9-7-5-6-8-10(9)13-11/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethyl-3,3-dimethylindole?
2-ethyl-3,3-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 2-ethyl-3,3-dimethylindole is sourced from PubChem (CID 589046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).