phenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate

C11H10N2O3 — CID 57409222

IUPACphenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate
SMILESO=C1CN(C(=O)Oc2ccccc2)C=CN1
InChIInChI=1S/C11H10N2O3/c14-10-8-13(7-6-12-10)11(15)16-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14)
InChIKeyYULNPPOOOBMSEH-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.09
Rot. Bonds1

About phenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate

phenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate (PubChem CID 57409222) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is phenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate.

Molecular Properties

Compound Namephenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate
PubChem CID57409222
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Namephenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate
SMILESO=C1CN(C(=O)Oc2ccccc2)C=CN1
InChIInChI=1S/C11H10N2O3/c14-10-8-13(7-6-12-10)11(15)16-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14)
InChIKeyYULNPPOOOBMSEH-UHFFFAOYSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate?
The IUPAC name of phenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate (CID 57409222) is phenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate.
What is the SMILES notation for phenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate?
The canonical SMILES for phenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate is O=C1CN(C(=O)Oc2ccccc2)C=CN1.
What is the InChIKey of phenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate?
The InChIKey is YULNPPOOOBMSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-10-8-13(7-6-12-10)11(15)16-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14).
What are the key properties of phenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate?
phenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-oxo-1,3-dihydropyrazine-4-carboxylate is sourced from PubChem (CID 57409222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).