3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one

C13H14N2O — CID 23103620

IUPAC3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one
SMILESCCc1ccc(Cc2ncc[nH]c2=O)cc1
InChIInChI=1S/C13H14N2O/c1-2-10-3-5-11(6-4-10)9-12-13(16)15-8-7-14-12/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyUPQYNINDINBQKG-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.92
Rot. Bonds3

About 3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one

3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one (PubChem CID 23103620) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one
PubChem CID23103620
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one
SMILESCCc1ccc(Cc2ncc[nH]c2=O)cc1
InChIInChI=1S/C13H14N2O/c1-2-10-3-5-11(6-4-10)9-12-13(16)15-8-7-14-12/h3-8H,2,9H2,1H3,(H,15,16)
InChIKeyUPQYNINDINBQKG-UHFFFAOYSA-N
XLogP1.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one (CID 23103620) is 3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one is CCc1ccc(Cc2ncc[nH]c2=O)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one?
The InChIKey is UPQYNINDINBQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-10-3-5-11(6-4-10)9-12-13(16)15-8-7-14-12/h3-8H,2,9H2,1H3,(H,15,16).
What are the key properties of 3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one?
3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one has a molecular weight of 214.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 23103620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).