1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one

C14H13NO3 — CID 3613551

IUPAC1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
SMILESCOc1ccc(C(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C14H13NO3/c1-18-12-7-5-11(6-8-12)13(16)10-15-9-3-2-4-14(15)17/h2-9H,10H2,1H3
InChIKeyCMAXQJILCLUVAS-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.74
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one

1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one (PubChem CID 3613551) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
PubChem CID3613551
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one
SMILESCOc1ccc(C(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C14H13NO3/c1-18-12-7-5-11(6-8-12)13(16)10-15-9-3-2-4-14(15)17/h2-9H,10H2,1H3
InChIKeyCMAXQJILCLUVAS-UHFFFAOYSA-N
XLogP1.74
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 3802743
1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one
CID 62963387
1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 46578919
2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62019528
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51206707
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
CID 8620936
1-[2-(2-methylphenyl)-2-oxoethyl]pyridin-2-one
CID 62018988
1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one
CID 82897744
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 63878855
phenyl 2-(2-oxo-1-pyridinyl)acetate
CID 3716691

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one (CID 3613551) is 1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one is COc1ccc(C(=O)Cn2ccccc2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one?
The InChIKey is CMAXQJILCLUVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-12-7-5-11(6-8-12)13(16)10-15-9-3-2-4-14(15)17/h2-9H,10H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one?
1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one has a molecular weight of 243.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 3613551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).