1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione

C21H20N2O2 — CID 22423909

IUPAC1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione
SMILESC=Cc1ccc(Cn2ccn(CCc3ccccc3)c(=O)c2=O)cc1
InChIInChI=1S/C21H20N2O2/c1-2-17-8-10-19(11-9-17)16-23-15-14-22(20(24)21(23)25)13-12-18-6-4-3-5-7-18/h2-11,14-15H,1,12-13,16H2
InChIKeyKUBNIAVPZUJSGP-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.94
Rot. Bonds6

About 1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione

1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione (PubChem CID 22423909) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione
PubChem CID22423909
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione
SMILESC=Cc1ccc(Cn2ccn(CCc3ccccc3)c(=O)c2=O)cc1
InChIInChI=1S/C21H20N2O2/c1-2-17-8-10-19(11-9-17)16-23-15-14-22(20(24)21(23)25)13-12-18-6-4-3-5-7-18/h2-11,14-15H,1,12-13,16H2
InChIKeyKUBNIAVPZUJSGP-UHFFFAOYSA-N
XLogP2.94
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione?
The IUPAC name of 1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione (CID 22423909) is 1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione?
The canonical SMILES for 1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione is C=Cc1ccc(Cn2ccn(CCc3ccccc3)c(=O)c2=O)cc1.
What is the InChIKey of 1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione?
The InChIKey is KUBNIAVPZUJSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-17-8-10-19(11-9-17)16-23-15-14-22(20(24)21(23)25)13-12-18-6-4-3-5-7-18/h2-11,14-15H,1,12-13,16H2.
What are the key properties of 1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione?
1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione has a molecular weight of 332.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylphenyl)methyl]-4-(2-phenylethyl)pyrazine-2,3-dione is sourced from PubChem (CID 22423909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).