methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate

C11H15NO3 — CID 60875653

IUPACmethyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate
SMILESCOC(=O)CCCn1c(C)cccc1=O
InChIInChI=1S/C11H15NO3/c1-9-5-3-6-10(13)12(9)8-4-7-11(14)15-2/h3,5-6H,4,7-8H2,1-2H3
InChIKeyDSDNKFWTFVVASO-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.11
Rot. Bonds4

About methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate

methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate (PubChem CID 60875653) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate
PubChem CID60875653
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate
SMILESCOC(=O)CCCn1c(C)cccc1=O
InChIInChI=1S/C11H15NO3/c1-9-5-3-6-10(13)12(9)8-4-7-11(14)15-2/h3,5-6H,4,7-8H2,1-2H3
InChIKeyDSDNKFWTFVVASO-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate?
The IUPAC name of methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate (CID 60875653) is methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate.
What is the SMILES notation for methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate?
The canonical SMILES for methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate is COC(=O)CCCn1c(C)cccc1=O.
What is the InChIKey of methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate?
The InChIKey is DSDNKFWTFVVASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-9-5-3-6-10(13)12(9)8-4-7-11(14)15-2/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate?
methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate has a molecular weight of 209.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate is sourced from PubChem (CID 60875653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).