ethyl 2-methyl-2-pyridin-2-ylpropanoate

C11H15NO2 — CID 642856

IUPACethyl 2-methyl-2-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(C)(C)c1ccccn1
InChIInChI=1S/C11H15NO2/c1-4-14-10(13)11(2,3)9-7-5-6-8-12-9/h5-8H,4H2,1-3H3
InChIKeyBMMYGYKRBVTVHD-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.92
Rot. Bonds3

About ethyl 2-methyl-2-pyridin-2-ylpropanoate

ethyl 2-methyl-2-pyridin-2-ylpropanoate (PubChem CID 642856) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 2-methyl-2-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-pyridin-2-ylpropanoate
PubChem CID642856
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 2-methyl-2-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(C)(C)c1ccccn1
InChIInChI=1S/C11H15NO2/c1-4-14-10(13)11(2,3)9-7-5-6-8-12-9/h5-8H,4H2,1-3H3
InChIKeyBMMYGYKRBVTVHD-UHFFFAOYSA-N
XLogP1.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 2-methyl-2-pyridin-2-ylpropanoate (CID 642856) is ethyl 2-methyl-2-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-pyridin-2-ylpropanoate is CCOC(=O)C(C)(C)c1ccccn1.
What is the InChIKey of ethyl 2-methyl-2-pyridin-2-ylpropanoate?
The InChIKey is BMMYGYKRBVTVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-14-10(13)11(2,3)9-7-5-6-8-12-9/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-pyridin-2-ylpropanoate?
ethyl 2-methyl-2-pyridin-2-ylpropanoate has a molecular weight of 193.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-pyridin-2-ylpropanoate is sourced from PubChem (CID 642856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).