pyridin-2-ylmethyl 2-phenylpropanoate

C15H15NO2 — CID 101111026

IUPACpyridin-2-ylmethyl 2-phenylpropanoate
SMILESCC(C(=O)OCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H15NO2/c1-12(13-7-3-2-4-8-13)15(17)18-11-14-9-5-6-10-16-14/h2-10,12H,11H2,1H3
InChIKeyVWSMZAOBJCLTSC-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.93
Rot. Bonds4

About pyridin-2-ylmethyl 2-phenylpropanoate

pyridin-2-ylmethyl 2-phenylpropanoate (PubChem CID 101111026) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-phenylpropanoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-phenylpropanoate
PubChem CID101111026
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namepyridin-2-ylmethyl 2-phenylpropanoate
SMILESCC(C(=O)OCc1ccccn1)c1ccccc1
InChIInChI=1S/C15H15NO2/c1-12(13-7-3-2-4-8-13)15(17)18-11-14-9-5-6-10-16-14/h2-10,12H,11H2,1H3
InChIKeyVWSMZAOBJCLTSC-UHFFFAOYSA-N
XLogP2.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-phenylpropanoate?
The IUPAC name of pyridin-2-ylmethyl 2-phenylpropanoate (CID 101111026) is pyridin-2-ylmethyl 2-phenylpropanoate.
What is the SMILES notation for pyridin-2-ylmethyl 2-phenylpropanoate?
The canonical SMILES for pyridin-2-ylmethyl 2-phenylpropanoate is CC(C(=O)OCc1ccccn1)c1ccccc1.
What is the InChIKey of pyridin-2-ylmethyl 2-phenylpropanoate?
The InChIKey is VWSMZAOBJCLTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-12(13-7-3-2-4-8-13)15(17)18-11-14-9-5-6-10-16-14/h2-10,12H,11H2,1H3.
What are the key properties of pyridin-2-ylmethyl 2-phenylpropanoate?
pyridin-2-ylmethyl 2-phenylpropanoate has a molecular weight of 241.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-phenylpropanoate is sourced from PubChem (CID 101111026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).