1-butyl-3,3,5-trimethylindol-2-one

C15H21NO — CID 69481283

IUPAC1-butyl-3,3,5-trimethylindol-2-one
SMILESCCCCN1C(=O)C(C)(C)c2cc(C)ccc21
InChIInChI=1S/C15H21NO/c1-5-6-9-16-13-8-7-11(2)10-12(13)15(3,4)14(16)17/h7-8,10H,5-6,9H2,1-4H3
InChIKeyCAGOXKKQWUSBOM-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.42
Rot. Bonds3

About 1-butyl-3,3,5-trimethylindol-2-one

1-butyl-3,3,5-trimethylindol-2-one (PubChem CID 69481283) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-butyl-3,3,5-trimethylindol-2-one.

Molecular Properties

Compound Name1-butyl-3,3,5-trimethylindol-2-one
PubChem CID69481283
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-butyl-3,3,5-trimethylindol-2-one
SMILESCCCCN1C(=O)C(C)(C)c2cc(C)ccc21
InChIInChI=1S/C15H21NO/c1-5-6-9-16-13-8-7-11(2)10-12(13)15(3,4)14(16)17/h7-8,10H,5-6,9H2,1-4H3
InChIKeyCAGOXKKQWUSBOM-UHFFFAOYSA-N
XLogP3.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-butyl-3,3,5-trimethylindol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,3,5-trimethylindol-2-one?
The IUPAC name of 1-butyl-3,3,5-trimethylindol-2-one (CID 69481283) is 1-butyl-3,3,5-trimethylindol-2-one.
What is the SMILES notation for 1-butyl-3,3,5-trimethylindol-2-one?
The canonical SMILES for 1-butyl-3,3,5-trimethylindol-2-one is CCCCN1C(=O)C(C)(C)c2cc(C)ccc21.
What is the InChIKey of 1-butyl-3,3,5-trimethylindol-2-one?
The InChIKey is CAGOXKKQWUSBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-6-9-16-13-8-7-11(2)10-12(13)15(3,4)14(16)17/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 1-butyl-3,3,5-trimethylindol-2-one?
1-butyl-3,3,5-trimethylindol-2-one has a molecular weight of 231.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,3,5-trimethylindol-2-one is sourced from PubChem (CID 69481283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).