methyl 4-oxo-4-pyridin-3-ylbutanoate

C10H11NO3 — CID 15913004

IUPACmethyl 4-oxo-4-pyridin-3-ylbutanoate
SMILESCOC(=O)CCC(=O)c1cccnc1
InChIInChI=1S/C10H11NO3/c1-14-10(13)5-4-9(12)8-3-2-6-11-7-8/h2-3,6-7H,4-5H2,1H3
InChIKeyXRIYETDWPATOFE-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.22
Rot. Bonds4

About methyl 4-oxo-4-pyridin-3-ylbutanoate

methyl 4-oxo-4-pyridin-3-ylbutanoate (PubChem CID 15913004) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 4-oxo-4-pyridin-3-ylbutanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-pyridin-3-ylbutanoate
PubChem CID15913004
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 4-oxo-4-pyridin-3-ylbutanoate
SMILESCOC(=O)CCC(=O)c1cccnc1
InChIInChI=1S/C10H11NO3/c1-14-10(13)5-4-9(12)8-3-2-6-11-7-8/h2-3,6-7H,4-5H2,1H3
InChIKeyXRIYETDWPATOFE-UHFFFAOYSA-N
XLogP1.22
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl carbonate;methyl 3-oxo-3-pyridin-3-ylpropanoate;1-pyridin-3-ylethanone
CID 160688200
1-(4-hydroxy-3,5-dimethoxyphenyl)-4-pyridin-3-ylbutane-1,4-dione
CID 90371023
1-pyridin-3-ylpentan-1-one
CID 12648543
(111C)methyl pyridine-3-carboxylate
CID 11309537
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
methyl 2-hydroxy-4-oxo-4-pyridin-3-ylbutanoate
CID 21058132
tert-butyl 3-oxo-3-pyridin-3-ylpropanoate
CID 22925074
N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110612486
1-pyridin-3-ylundecan-1-one
CID 19756112
N-(6-methoxy-3-pyridinyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110620858
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
2,2,3,3-tetrafluoropropyl 4-oxo-4-pyridin-3-ylbutanoate
CID 126834056

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-pyridin-3-ylbutanoate?
The IUPAC name of methyl 4-oxo-4-pyridin-3-ylbutanoate (CID 15913004) is methyl 4-oxo-4-pyridin-3-ylbutanoate.
What is the SMILES notation for methyl 4-oxo-4-pyridin-3-ylbutanoate?
The canonical SMILES for methyl 4-oxo-4-pyridin-3-ylbutanoate is COC(=O)CCC(=O)c1cccnc1.
What is the InChIKey of methyl 4-oxo-4-pyridin-3-ylbutanoate?
The InChIKey is XRIYETDWPATOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-10(13)5-4-9(12)8-3-2-6-11-7-8/h2-3,6-7H,4-5H2,1H3.
What are the key properties of methyl 4-oxo-4-pyridin-3-ylbutanoate?
methyl 4-oxo-4-pyridin-3-ylbutanoate has a molecular weight of 193.20 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-pyridin-3-ylbutanoate is sourced from PubChem (CID 15913004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).