1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one

C15H14N2O4 — CID 82898969

IUPAC1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccc2c(c1)OC/C2=N/O
InChIInChI=1S/C15H14N2O4/c18-15-3-1-2-6-17(15)7-8-20-11-4-5-12-13(16-19)10-21-14(12)9-11/h1-6,9,19H,7-8,10H2/b16-13-
InChIKeyRHWUTZXUIHTQJD-SSZFMOIBSA-N
MW286.29 g/mol
LogP1.50
Rot. Bonds4

About 1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one

1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one (PubChem CID 82898969) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one
PubChem CID82898969
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCOc1ccc2c(c1)OC/C2=N/O
InChIInChI=1S/C15H14N2O4/c18-15-3-1-2-6-17(15)7-8-20-11-4-5-12-13(16-19)10-21-14(12)9-11/h1-6,9,19H,7-8,10H2/b16-13-
InChIKeyRHWUTZXUIHTQJD-SSZFMOIBSA-N
XLogP1.50
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one (CID 82898969) is 1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one is O=c1ccccn1CCOc1ccc2c(c1)OC/C2=N/O.
What is the InChIKey of 1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one?
The InChIKey is RHWUTZXUIHTQJD-SSZFMOIBSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-15-3-1-2-6-17(15)7-8-20-11-4-5-12-13(16-19)10-21-14(12)9-11/h1-6,9,19H,7-8,10H2/b16-13-.
What are the key properties of 1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one?
1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one has a molecular weight of 286.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(3E)-3-hydroxyimino-1-benzofuran-6-yl]oxy]ethyl]pyridin-2-one is sourced from PubChem (CID 82898969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).