(1-methyl-2-oxo-3-pyridinyl) butanoate

C10H13NO3 — CID 174389750

IUPAC(1-methyl-2-oxo-3-pyridinyl) butanoate
SMILESCCCC(=O)Oc1cccn(C)c1=O
InChIInChI=1S/C10H13NO3/c1-3-5-9(12)14-8-6-4-7-11(2)10(8)13/h4,6-7H,3,5H2,1-2H3
InChIKeyRIOLCGPEPVCRTF-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.09
Rot. Bonds3

About (1-methyl-2-oxo-3-pyridinyl) butanoate

(1-methyl-2-oxo-3-pyridinyl) butanoate (PubChem CID 174389750) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (1-methyl-2-oxo-3-pyridinyl) butanoate.

Molecular Properties

Compound Name(1-methyl-2-oxo-3-pyridinyl) butanoate
PubChem CID174389750
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(1-methyl-2-oxo-3-pyridinyl) butanoate
SMILESCCCC(=O)Oc1cccn(C)c1=O
InChIInChI=1S/C10H13NO3/c1-3-5-9(12)14-8-6-4-7-11(2)10(8)13/h4,6-7H,3,5H2,1-2H3
InChIKeyRIOLCGPEPVCRTF-UHFFFAOYSA-N
XLogP1.09
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-oxo-3-pyridinyl) butanoate?
The IUPAC name of (1-methyl-2-oxo-3-pyridinyl) butanoate (CID 174389750) is (1-methyl-2-oxo-3-pyridinyl) butanoate.
What is the SMILES notation for (1-methyl-2-oxo-3-pyridinyl) butanoate?
The canonical SMILES for (1-methyl-2-oxo-3-pyridinyl) butanoate is CCCC(=O)Oc1cccn(C)c1=O.
What is the InChIKey of (1-methyl-2-oxo-3-pyridinyl) butanoate?
The InChIKey is RIOLCGPEPVCRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-5-9(12)14-8-6-4-7-11(2)10(8)13/h4,6-7H,3,5H2,1-2H3.
What are the key properties of (1-methyl-2-oxo-3-pyridinyl) butanoate?
(1-methyl-2-oxo-3-pyridinyl) butanoate has a molecular weight of 195.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-oxo-3-pyridinyl) butanoate is sourced from PubChem (CID 174389750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).