1-(2-methylbut-3-yn-2-yl)indole

C13H13N — CID 14613219

IUPAC1-(2-methylbut-3-yn-2-yl)indole
SMILESC#CC(C)(C)n1ccc2ccccc21
InChIInChI=1S/C13H13N/c1-4-13(2,3)14-10-9-11-7-5-6-8-12(11)14/h1,5-10H,2-3H3
InChIKeyYFOUMPVQLNDVHS-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.01
Rot. Bonds1

About 1-(2-methylbut-3-yn-2-yl)indole

1-(2-methylbut-3-yn-2-yl)indole (PubChem CID 14613219) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-methylbut-3-yn-2-yl)indole.

Molecular Properties

Compound Name1-(2-methylbut-3-yn-2-yl)indole
PubChem CID14613219
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name1-(2-methylbut-3-yn-2-yl)indole
SMILESC#CC(C)(C)n1ccc2ccccc21
InChIInChI=1S/C13H13N/c1-4-13(2,3)14-10-9-11-7-5-6-8-12(11)14/h1,5-10H,2-3H3
InChIKeyYFOUMPVQLNDVHS-UHFFFAOYSA-N
XLogP3.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(2-methylbut-3-yn-2-yl)indole 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

2-indol-1-ylpropan-2-amine
CID 68539094
2-hydroxy-2-indol-1-ylpropanoic acid
CID 21286278
1-indol-1-ylpropane-1,1-diol
CID 71775328
2-hydroxy-2-indol-1-ylbutanenitrile
CID 22558329
3-indol-1-yl-3-methylbutanimidamide
CID 90272000
ethane;1-methylindole
CID 91600075
1-(2,5-dimethylpyrrol-1-yl)indole
CID 54014212
O-indol-1-ylhydroxylamine
CID 57016853
1-(2-indol-1-ylphenyl)-2-methylpropan-2-ol
CID 70602665
1-[(2S)-butan-2-yl]indole
CID 124507288
N-(3-ethylpent-1-yn-3-yl)-3-indol-1-ylpropanamide
CID 18273092
N,N-dimethylindol-1-amine;methane
CID 159899894

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbut-3-yn-2-yl)indole?
The IUPAC name of 1-(2-methylbut-3-yn-2-yl)indole (CID 14613219) is 1-(2-methylbut-3-yn-2-yl)indole.
What is the SMILES notation for 1-(2-methylbut-3-yn-2-yl)indole?
The canonical SMILES for 1-(2-methylbut-3-yn-2-yl)indole is C#CC(C)(C)n1ccc2ccccc21.
What is the InChIKey of 1-(2-methylbut-3-yn-2-yl)indole?
The InChIKey is YFOUMPVQLNDVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-4-13(2,3)14-10-9-11-7-5-6-8-12(11)14/h1,5-10H,2-3H3.
What are the key properties of 1-(2-methylbut-3-yn-2-yl)indole?
1-(2-methylbut-3-yn-2-yl)indole has a molecular weight of 183.25 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbut-3-yn-2-yl)indole is sourced from PubChem (CID 14613219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).