1-phenylmethoxypyrazin-2-one

C11H10N2O2 — CID 685465

IUPAC1-phenylmethoxypyrazin-2-one
SMILESO=c1cnccn1OCc1ccccc1
InChIInChI=1S/C11H10N2O2/c14-11-8-12-6-7-13(11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyWRPLOLJFBHITHH-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.87
Rot. Bonds3

About 1-phenylmethoxypyrazin-2-one

1-phenylmethoxypyrazin-2-one (PubChem CID 685465) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-phenylmethoxypyrazin-2-one.

Molecular Properties

Compound Name1-phenylmethoxypyrazin-2-one
PubChem CID685465
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1-phenylmethoxypyrazin-2-one
SMILESO=c1cnccn1OCc1ccccc1
InChIInChI=1S/C11H10N2O2/c14-11-8-12-6-7-13(11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyWRPLOLJFBHITHH-UHFFFAOYSA-N
XLogP0.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxypyrazin-2-one?
The IUPAC name of 1-phenylmethoxypyrazin-2-one (CID 685465) is 1-phenylmethoxypyrazin-2-one.
What is the SMILES notation for 1-phenylmethoxypyrazin-2-one?
The canonical SMILES for 1-phenylmethoxypyrazin-2-one is O=c1cnccn1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxypyrazin-2-one?
The InChIKey is WRPLOLJFBHITHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11-8-12-6-7-13(11)15-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 1-phenylmethoxypyrazin-2-one?
1-phenylmethoxypyrazin-2-one has a molecular weight of 202.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxypyrazin-2-one is sourced from PubChem (CID 685465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).