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

C11H15NO3 — CID 62960871

IUPACmethyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate
SMILESCOC(=O)CCCn1ccc(C)cc1=O
InChIInChI=1S/C11H15NO3/c1-9-5-7-12(10(13)8-9)6-3-4-11(14)15-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyQMDKHXHZRHTKNY-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.11
Rot. Bonds4

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

methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate (PubChem CID 62960871) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate
PubChem CID62960871
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate
SMILESCOC(=O)CCCn1ccc(C)cc1=O
InChIInChI=1S/C11H15NO3/c1-9-5-7-12(10(13)8-9)6-3-4-11(14)15-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyQMDKHXHZRHTKNY-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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Related Compounds

methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
CID 59562280
4-methyl-1-[4-(methylamino)butyl]pyridin-2-one
CID 62988015
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate;2-(4-methyl-2-oxo-1-pyridinyl)acetic acid
CID 160822702
N,N-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 116622594
4-methyl-1-[3-(methylamino)propyl]pyridin-2-one
CID 62961955
methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate
CID 60875653
4-methyl-1-[3-(propylamino)propyl]pyridin-2-one
CID 62961956
4-methyl-1-[2-(methylamino)ethyl]pyridin-2-one
CID 62962145
methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate
CID 62929432
methyl 4-[3-(4-methoxy-4-oxobutyl)-6-methyl-2,4-dioxopyrimidin-1-yl]butanoate
CID 21312564
methyl 4-(2-acetylpyrrol-1-yl)butanoate
CID 79106595
4-methyl-1-(2-methylsulfanylethyl)pyridin-2-one
CID 115900483

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate?
The IUPAC name of methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate (CID 62960871) is methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate.
What is the SMILES notation for methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate?
The canonical SMILES for methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate is COC(=O)CCCn1ccc(C)cc1=O.
What is the InChIKey of methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate?
The InChIKey is QMDKHXHZRHTKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-9-5-7-12(10(13)8-9)6-3-4-11(14)15-2/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate?
methyl 4-(4-methyl-2-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-(4-methyl-2-oxo-1-pyridinyl)butanoate is sourced from PubChem (CID 62960871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).