2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one

C11H11ClN2O — CID 90760388

IUPAC2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one
SMILESO=C1CN=CC(Cc2cccc(Cl)c2)N1
InChIInChI=1S/C11H11ClN2O/c12-9-3-1-2-8(4-9)5-10-6-13-7-11(15)14-10/h1-4,6,10H,5,7H2,(H,14,15)
InChIKeyMCGHFCOTDDXRLR-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.45
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one

2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one (PubChem CID 90760388) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one
PubChem CID90760388
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one
SMILESO=C1CN=CC(Cc2cccc(Cl)c2)N1
InChIInChI=1S/C11H11ClN2O/c12-9-3-1-2-8(4-9)5-10-6-13-7-11(15)14-10/h1-4,6,10H,5,7H2,(H,14,15)
InChIKeyMCGHFCOTDDXRLR-UHFFFAOYSA-N
XLogP1.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[(3-chlorophenyl)methyl]oxetane
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CID 5094056
3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
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3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one (CID 90760388) is 2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one is O=C1CN=CC(Cc2cccc(Cl)c2)N1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one?
The InChIKey is MCGHFCOTDDXRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-9-3-1-2-8(4-9)5-10-6-13-7-11(15)14-10/h1-4,6,10H,5,7H2,(H,14,15).
What are the key properties of 2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one?
2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one has a molecular weight of 222.68 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-2,5-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 90760388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).