5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one

C11H11FN2O — CID 22037146

IUPAC5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one
SMILESCc1cc(F)ccc1C1=NCCNC1=O
InChIInChI=1S/C11H11FN2O/c1-7-6-8(12)2-3-9(7)10-11(15)14-5-4-13-10/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyBMSSIUBSYPOCNE-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.05
Rot. Bonds1

About 5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one

5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one (PubChem CID 22037146) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one
PubChem CID22037146
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one
SMILESCc1cc(F)ccc1C1=NCCNC1=O
InChIInChI=1S/C11H11FN2O/c1-7-6-8(12)2-3-9(7)10-11(15)14-5-4-13-10/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyBMSSIUBSYPOCNE-UHFFFAOYSA-N
XLogP1.05
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one (CID 22037146) is 5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one is Cc1cc(F)ccc1C1=NCCNC1=O.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one?
The InChIKey is BMSSIUBSYPOCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-7-6-8(12)2-3-9(7)10-11(15)14-5-4-13-10/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one?
5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one has a molecular weight of 206.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenyl)-2,3-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 22037146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).