(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

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Related Compounds

(5-ethenyl-1H-indol-3-yl)methanediol
CID 91534909
(5-bromo-1H-indol-3-yl) prop-2-enoate
CID 102248258
[5-(2-bromoethyl)-6-chloro-1H-indol-3-yl] 2,2-dimethylpropanoate
CID 174593602
4-[3-(2-methylbut-3-en-2-yl)-1H-indol-5-yl]but-3-en-2-one
CID 71420212
(4-bromo-8-ethenyl-6-oxonaphtho[1,2-c]isochromen-1-yl) 2,2-dimethylpropanoate
CID 15139698
(5-chloro-7-methyl-1H-indol-3-yl) 2,2-dimethylpropanoate
CID 174455504
(7-chloro-5-methyl-1H-indol-3-yl) 2,2-dimethylpropanoate
CID 174468131
2,2-dimethylpropanoyl 4-ethenylbenzoate
CID 57136162
(2-acetyloxy-4-ethenylphenyl) acetate
CID 11401740
(3-acetyloxy-4-ethenylphenyl) 2,2-dimethylpropanoate
CID 10730185
methyl (2R)-3,3,3-trifluoro-2-(5-formyl-1H-indol-3-yl)-2-hydroxypropanoate
CID 72737260
tert-butyl 5-ethenyl-2-methoxybenzoate
CID 155289029

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).