(5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate

C15H17NO2 — CID 174797604

IUPAC(5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate
SMILESC=Cc1ccc2[nH]cc(OC(=O)C(C)(C)C)c2c1
InChIInChI=1S/C15H17NO2/c1-5-10-6-7-12-11(8-10)13(9-16-12)18-14(17)15(2,3)4/h5-9,16H,1H2,2-4H3
InChIKeyYEYWFJQFKJFYDO-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.76
Rot. Bonds2

About (5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate

(5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate (PubChem CID 174797604) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate
PubChem CID174797604
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate
SMILESC=Cc1ccc2[nH]cc(OC(=O)C(C)(C)C)c2c1
InChIInChI=1S/C15H17NO2/c1-5-10-6-7-12-11(8-10)13(9-16-12)18-14(17)15(2,3)4/h5-9,16H,1H2,2-4H3
InChIKeyYEYWFJQFKJFYDO-UHFFFAOYSA-N
XLogP3.76
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate 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 (5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate?
The IUPAC name of (5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate (CID 174797604) is (5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate is C=Cc1ccc2[nH]cc(OC(=O)C(C)(C)C)c2c1.
What is the InChIKey of (5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate?
The InChIKey is YEYWFJQFKJFYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-5-10-6-7-12-11(8-10)13(9-16-12)18-14(17)15(2,3)4/h5-9,16H,1H2,2-4H3.
What are the key properties of (5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate?
(5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate has a molecular weight of 243.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethenyl-1H-indol-3-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174797604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).