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

C14H10N2O3 — CID 62018796

IUPAC1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)c1coc2ccccc12
InChIInChI=1S/C14H10N2O3/c17-12(8-16-7-3-6-15-14(16)18)11-9-19-13-5-2-1-4-10(11)13/h1-7,9H,8H2
InChIKeyUJEREOIVUMMBON-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.87
Rot. Bonds3

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

1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one (PubChem CID 62018796) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one
PubChem CID62018796
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)c1coc2ccccc12
InChIInChI=1S/C14H10N2O3/c17-12(8-16-7-3-6-15-14(16)18)11-9-19-13-5-2-1-4-10(11)13/h1-7,9H,8H2
InChIKeyUJEREOIVUMMBON-UHFFFAOYSA-N
XLogP1.87
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one (CID 62018796) is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)c1coc2ccccc12.
What is the InChIKey of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one?
The InChIKey is UJEREOIVUMMBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-12(8-16-7-3-6-15-14(16)18)11-9-19-13-5-2-1-4-10(11)13/h1-7,9H,8H2.
What are the key properties of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one?
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one has a molecular weight of 254.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 62018796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).