3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one

C15H11N3O — CID 6034008

IUPAC3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=C/c1ccccn1
InChIInChI=1S/C15H11N3O/c19-15-14(9-8-11-5-3-4-10-16-11)17-12-6-1-2-7-13(12)18-15/h1-10H,(H,18,19)/b9-8+
InChIKeyYKUZPPLSIAFQNK-CMDGGOBGSA-N
MW249.27 g/mol
LogP2.49
Rot. Bonds2

About 3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one

3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one (PubChem CID 6034008) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one
PubChem CID6034008
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1/C=C/c1ccccn1
InChIInChI=1S/C15H11N3O/c19-15-14(9-8-11-5-3-4-10-16-11)17-12-6-1-2-7-13(12)18-15/h1-10H,(H,18,19)/b9-8+
InChIKeyYKUZPPLSIAFQNK-CMDGGOBGSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one (CID 6034008) is 3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1/C=C/c1ccccn1.
What is the InChIKey of 3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one?
The InChIKey is YKUZPPLSIAFQNK-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H11N3O/c19-15-14(9-8-11-5-3-4-10-16-11)17-12-6-1-2-7-13(12)18-15/h1-10H,(H,18,19)/b9-8+.
What are the key properties of 3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one?
3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one has a molecular weight of 249.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-pyridin-2-ylethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 6034008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).