1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one

C16H13NO3 — CID 62024555

IUPAC1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CC(=O)c1coc2ccccc12
InChIInChI=1S/C16H13NO3/c1-11-5-4-8-16(19)17(11)9-14(18)13-10-20-15-7-3-2-6-12(13)15/h2-8,10H,9H2,1H3
InChIKeyDWDBSTRRENRMCG-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.79
Rot. Bonds3

About 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one

1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one (PubChem CID 62024555) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one
PubChem CID62024555
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CC(=O)c1coc2ccccc12
InChIInChI=1S/C16H13NO3/c1-11-5-4-8-16(19)17(11)9-14(18)13-10-20-15-7-3-2-6-12(13)15/h2-8,10H,9H2,1H3
InChIKeyDWDBSTRRENRMCG-UHFFFAOYSA-N
XLogP2.79
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312771
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one
CID 80580957
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 62025761
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62025100
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]azepane-2,7-dione
CID 62024167
1-(1-benzofuran-3-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797949
2-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79872752
1-[2-(2-methoxyphenyl)-2-oxoethyl]-6-methylpyridin-2-one
CID 62024011
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
CID 89242212
CID 89242212
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301721
1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
CID 62052483

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one (CID 62024555) is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CC(=O)c1coc2ccccc12.
What is the InChIKey of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one?
The InChIKey is DWDBSTRRENRMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-11-5-4-8-16(19)17(11)9-14(18)13-10-20-15-7-3-2-6-12(13)15/h2-8,10H,9H2,1H3.
What are the key properties of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one?
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one has a molecular weight of 267.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one is sourced from PubChem (CID 62024555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).