1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one

C15H11NO3 — CID 60774223

IUPAC1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)c1cc2ccccc2o1
InChIInChI=1S/C15H11NO3/c17-12(10-16-8-4-3-7-15(16)18)14-9-11-5-1-2-6-13(11)19-14/h1-9H,10H2
InChIKeyBTSGPJDUKNYIEV-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.48
Rot. Bonds3

About 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one

1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 60774223) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one
PubChem CID60774223
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)c1cc2ccccc2o1
InChIInChI=1S/C15H11NO3/c17-12(10-16-8-4-3-7-15(16)18)14-9-11-5-1-2-6-13(11)19-14/h1-9H,10H2
InChIKeyBTSGPJDUKNYIEV-UHFFFAOYSA-N
XLogP2.48
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206433
1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797958
3-[2-(1-benzofuran-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60624376
3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-bromopyrimidin-4-one
CID 66309127
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 14509719
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-5-methylpyridazin-3-one
CID 106548832
1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone
CID 61445139
1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973085
1-(1-benzofuran-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024611
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one
CID 62025543
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one
CID 62018083

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one (CID 60774223) is 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one is O=C(Cn1ccccc1=O)c1cc2ccccc2o1.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is BTSGPJDUKNYIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-12(10-16-8-4-3-7-15(16)18)14-9-11-5-1-2-6-13(11)19-14/h1-9H,10H2.
What are the key properties of 1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one?
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 253.26 g/mol, XLogP of 2.48, 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-2-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 60774223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).