5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one

C19H15ClN2O — CID 102210604

IUPAC5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one
SMILESCc1c(Cl)nc(/C=C/c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C19H15ClN2O/c1-14-18(20)21-17(13-12-15-8-4-2-5-9-15)19(23)22(14)16-10-6-3-7-11-16/h2-13H,1H3/b13-12+
InChIKeyPRZABDFIRZFAJB-OUKQBFOZSA-N
MW322.80 g/mol
LogP4.36
Rot. Bonds3

About 5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one

5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one (PubChem CID 102210604) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one
PubChem CID102210604
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one
SMILESCc1c(Cl)nc(/C=C/c2ccccc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C19H15ClN2O/c1-14-18(20)21-17(13-12-15-8-4-2-5-9-15)19(23)22(14)16-10-6-3-7-11-16/h2-13H,1H3/b13-12+
InChIKeyPRZABDFIRZFAJB-OUKQBFOZSA-N
XLogP4.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one?
The IUPAC name of 5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one (CID 102210604) is 5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one.
What is the SMILES notation for 5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one?
The canonical SMILES for 5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one is Cc1c(Cl)nc(/C=C/c2ccccc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one?
The InChIKey is PRZABDFIRZFAJB-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H15ClN2O/c1-14-18(20)21-17(13-12-15-8-4-2-5-9-15)19(23)22(14)16-10-6-3-7-11-16/h2-13H,1H3/b13-12+.
What are the key properties of 5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one?
5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one has a molecular weight of 322.80 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one is sourced from PubChem (CID 102210604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).