2-cyclobutyl-3-methyl-1H-indole

C13H15N — CID 91217757

IUPAC2-cyclobutyl-3-methyl-1H-indole
SMILESCc1c(C2CCC2)[nH]c2ccccc12
InChIInChI=1S/C13H15N/c1-9-11-7-2-3-8-12(11)14-13(9)10-5-4-6-10/h2-3,7-8,10,14H,4-6H2,1H3
InChIKeyWILWHSIOPBZDQD-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.74
Rot. Bonds1

About 2-cyclobutyl-3-methyl-1H-indole

2-cyclobutyl-3-methyl-1H-indole (PubChem CID 91217757) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-cyclobutyl-3-methyl-1H-indole.

Molecular Properties

Compound Name2-cyclobutyl-3-methyl-1H-indole
PubChem CID91217757
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-cyclobutyl-3-methyl-1H-indole
SMILESCc1c(C2CCC2)[nH]c2ccccc12
InChIInChI=1S/C13H15N/c1-9-11-7-2-3-8-12(11)14-13(9)10-5-4-6-10/h2-3,7-8,10,14H,4-6H2,1H3
InChIKeyWILWHSIOPBZDQD-UHFFFAOYSA-N
XLogP3.74
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-cyclobutyl-3-methyl-1H-indole 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 2-cyclobutyl-3-methyl-1H-indole?
The IUPAC name of 2-cyclobutyl-3-methyl-1H-indole (CID 91217757) is 2-cyclobutyl-3-methyl-1H-indole.
What is the SMILES notation for 2-cyclobutyl-3-methyl-1H-indole?
The canonical SMILES for 2-cyclobutyl-3-methyl-1H-indole is Cc1c(C2CCC2)[nH]c2ccccc12.
What is the InChIKey of 2-cyclobutyl-3-methyl-1H-indole?
The InChIKey is WILWHSIOPBZDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-9-11-7-2-3-8-12(11)14-13(9)10-5-4-6-10/h2-3,7-8,10,14H,4-6H2,1H3.
What are the key properties of 2-cyclobutyl-3-methyl-1H-indole?
2-cyclobutyl-3-methyl-1H-indole has a molecular weight of 185.27 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-methyl-1H-indole is sourced from PubChem (CID 91217757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).