1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione

C16H18N2O2 — CID 163358276

IUPAC1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione
SMILESC=C(C)Cn1ccn(-c2ccccc2CC)c(=O)c1=O
InChIInChI=1S/C16H18N2O2/c1-4-13-7-5-6-8-14(13)18-10-9-17(11-12(2)3)15(19)16(18)20/h5-10H,2,4,11H2,1,3H3
InChIKeyVXVFUGFGQFZGBD-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione

1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione (PubChem CID 163358276) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione
PubChem CID163358276
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione
SMILESC=C(C)Cn1ccn(-c2ccccc2CC)c(=O)c1=O
InChIInChI=1S/C16H18N2O2/c1-4-13-7-5-6-8-14(13)18-10-9-17(11-12(2)3)15(19)16(18)20/h5-10H,2,4,11H2,1,3H3
InChIKeyVXVFUGFGQFZGBD-UHFFFAOYSA-N
XLogP2.14
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione?
The IUPAC name of 1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione (CID 163358276) is 1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione?
The canonical SMILES for 1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione is C=C(C)Cn1ccn(-c2ccccc2CC)c(=O)c1=O.
What is the InChIKey of 1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione?
The InChIKey is VXVFUGFGQFZGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-13-7-5-6-8-14(13)18-10-9-17(11-12(2)3)15(19)16(18)20/h5-10H,2,4,11H2,1,3H3.
What are the key properties of 1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione?
1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione has a molecular weight of 270.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione is sourced from PubChem (CID 163358276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).