5-(2-methoxyphenyl)-1H-pyrazin-2-one

C11H10N2O2 — CID 16740583

IUPAC5-(2-methoxyphenyl)-1H-pyrazin-2-one
SMILESCOc1ccccc1-c1c[nH]c(=O)cn1
InChIInChI=1S/C11H10N2O2/c1-15-10-5-3-2-4-8(10)9-6-13-11(14)7-12-9/h2-7H,1H3,(H,13,14)
InChIKeyCNLNCZGCAPCOQO-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.45
Rot. Bonds2

About 5-(2-methoxyphenyl)-1H-pyrazin-2-one

5-(2-methoxyphenyl)-1H-pyrazin-2-one (PubChem CID 16740583) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1H-pyrazin-2-one
PubChem CID16740583
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-(2-methoxyphenyl)-1H-pyrazin-2-one
SMILESCOc1ccccc1-c1c[nH]c(=O)cn1
InChIInChI=1S/C11H10N2O2/c1-15-10-5-3-2-4-8(10)9-6-13-11(14)7-12-9/h2-7H,1H3,(H,13,14)
InChIKeyCNLNCZGCAPCOQO-UHFFFAOYSA-N
XLogP1.45
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(2-methoxyphenyl)-1H-pyrazin-2-one (CID 16740583) is 5-(2-methoxyphenyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(2-methoxyphenyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(2-methoxyphenyl)-1H-pyrazin-2-one is COc1ccccc1-c1c[nH]c(=O)cn1.
What is the InChIKey of 5-(2-methoxyphenyl)-1H-pyrazin-2-one?
The InChIKey is CNLNCZGCAPCOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-10-5-3-2-4-8(10)9-6-13-11(14)7-12-9/h2-7H,1H3,(H,13,14).
What are the key properties of 5-(2-methoxyphenyl)-1H-pyrazin-2-one?
5-(2-methoxyphenyl)-1H-pyrazin-2-one has a molecular weight of 202.21 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-1H-pyrazin-2-one is sourced from PubChem (CID 16740583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).