1-(2-tert-butyl-1-methylindol-3-yl)ethanone

C15H19NO — CID 101348045

IUPAC1-(2-tert-butyl-1-methylindol-3-yl)ethanone
SMILESCC(=O)c1c(C(C)(C)C)n(C)c2ccccc12
InChIInChI=1S/C15H19NO/c1-10(17)13-11-8-6-7-9-12(11)16(5)14(13)15(2,3)4/h6-9H,1-5H3
InChIKeyWQGYKJMRKHUUDF-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.68
Rot. Bonds1

About 1-(2-tert-butyl-1-methylindol-3-yl)ethanone

1-(2-tert-butyl-1-methylindol-3-yl)ethanone (PubChem CID 101348045) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2-tert-butyl-1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-tert-butyl-1-methylindol-3-yl)ethanone
PubChem CID101348045
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-(2-tert-butyl-1-methylindol-3-yl)ethanone
SMILESCC(=O)c1c(C(C)(C)C)n(C)c2ccccc12
InChIInChI=1S/C15H19NO/c1-10(17)13-11-8-6-7-9-12(11)16(5)14(13)15(2,3)4/h6-9H,1-5H3
InChIKeyWQGYKJMRKHUUDF-UHFFFAOYSA-N
XLogP3.68
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-tert-butyl-1-methylindol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
1-(1-methyl-3-phenylindol-2-yl)ethanone
CID 83919736
1-(10-acetylanthracen-9-yl)ethanone
CID 12739255
2-bromo-1-methylindole-3-carboxylic acid
CID 10800903
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259
tert-butyl 2-(1-acetyl-2-tert-butylindol-3-yl)-2-oxoacetate
CID 133058278
2-bromo-N-tert-butyl-N,1-dimethylindole-3-carboxamide
CID 101108562
3-(tert-butylcarbamoyl)-1-methylindole-2-carboxylic acid
CID 117062276
1-[6-bromo-1-methyl-2-(trifluoromethyl)indol-3-yl]ethanone
CID 84645777
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
1-(2-chloro-1-propylindol-3-yl)ethanone
CID 82268364

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1-methylindol-3-yl)ethanone?
The IUPAC name of 1-(2-tert-butyl-1-methylindol-3-yl)ethanone (CID 101348045) is 1-(2-tert-butyl-1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-(2-tert-butyl-1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-(2-tert-butyl-1-methylindol-3-yl)ethanone is CC(=O)c1c(C(C)(C)C)n(C)c2ccccc12.
What is the InChIKey of 1-(2-tert-butyl-1-methylindol-3-yl)ethanone?
The InChIKey is WQGYKJMRKHUUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-10(17)13-11-8-6-7-9-12(11)16(5)14(13)15(2,3)4/h6-9H,1-5H3.
What are the key properties of 1-(2-tert-butyl-1-methylindol-3-yl)ethanone?
1-(2-tert-butyl-1-methylindol-3-yl)ethanone has a molecular weight of 229.32 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1-methylindol-3-yl)ethanone is sourced from PubChem (CID 101348045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).