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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Related Compounds

1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187
5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 27371202
1-but-3-enyl-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
CID 163351485
1-benzyl-5-ethenylindole
CID 71373149
2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole
CID 172619805
3-bromo-1-(2-phenylethyl)pyridin-2-one
CID 114761280
1,3-bis[2-(4-ethenylphenyl)ethyl]benzene
CID 20738929
3-[4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 78918629
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
1-[2-(4-ethenylphenyl)ethyl]azetidine
CID 174663360
1-[2-bis(benzylsulfanyl)phosphorylethyl]-4-ethenylbenzene
CID 145275704

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).