1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one

C13H9NO3 — CID 19824064

IUPAC1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one
SMILESO=C1OC(n2ccccc2=O)c2ccccc21
InChIInChI=1S/C13H9NO3/c15-11-7-3-4-8-14(11)12-9-5-1-2-6-10(9)13(16)17-12/h1-8,12H
InChIKeyQUYNJNVUNKBOKA-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.57
Rot. Bonds1

About 1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one

1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one (PubChem CID 19824064) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one
PubChem CID19824064
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one
SMILESO=C1OC(n2ccccc2=O)c2ccccc21
InChIInChI=1S/C13H9NO3/c15-11-7-3-4-8-14(11)12-9-5-1-2-6-10(9)13(16)17-12/h1-8,12H
InChIKeyQUYNJNVUNKBOKA-UHFFFAOYSA-N
XLogP1.57
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one?
The IUPAC name of 1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one (CID 19824064) is 1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one?
The canonical SMILES for 1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one is O=C1OC(n2ccccc2=O)c2ccccc21.
What is the InChIKey of 1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one?
The InChIKey is QUYNJNVUNKBOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-11-7-3-4-8-14(11)12-9-5-1-2-6-10(9)13(16)17-12/h1-8,12H.
What are the key properties of 1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one?
1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one has a molecular weight of 227.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-1H-2-benzofuran-1-yl)pyridin-2-one is sourced from PubChem (CID 19824064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).