methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate

C11H15NO3 — CID 144564395

IUPACmethyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate
SMILESCCCc1cccc(=O)n1CC(=O)OC
InChIInChI=1S/C11H15NO3/c1-3-5-9-6-4-7-10(13)12(9)8-11(14)15-2/h4,6-7H,3,5,8H2,1-2H3
InChIKeyVSVOYLQPKYWHCB-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.97
Rot. Bonds4

About methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate

methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate (PubChem CID 144564395) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate
PubChem CID144564395
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate
SMILESCCCc1cccc(=O)n1CC(=O)OC
InChIInChI=1S/C11H15NO3/c1-3-5-9-6-4-7-10(13)12(9)8-11(14)15-2/h4,6-7H,3,5,8H2,1-2H3
InChIKeyVSVOYLQPKYWHCB-UHFFFAOYSA-N
XLogP0.97
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate (CID 144564395) is methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate is CCCc1cccc(=O)n1CC(=O)OC.
What is the InChIKey of methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate?
The InChIKey is VSVOYLQPKYWHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-5-9-6-4-7-10(13)12(9)8-11(14)15-2/h4,6-7H,3,5,8H2,1-2H3.
What are the key properties of methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate?
methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate has a molecular weight of 209.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-6-propyl-1-pyridinyl)acetate is sourced from PubChem (CID 144564395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).