1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione

C15H15ClN2O2 — CID 172906223

IUPAC1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione
SMILESC=C(C)Cn1ccn(-c2cc(Cl)ccc2C)c(=O)c1=O
InChIInChI=1S/C15H15ClN2O2/c1-10(2)9-17-6-7-18(15(20)14(17)19)13-8-12(16)5-4-11(13)3/h4-8H,1,9H2,2-3H3
InChIKeyQWJHVVBWZROFGF-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.54
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione

1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione (PubChem CID 172906223) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione
PubChem CID172906223
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione
SMILESC=C(C)Cn1ccn(-c2cc(Cl)ccc2C)c(=O)c1=O
InChIInChI=1S/C15H15ClN2O2/c1-10(2)9-17-6-7-18(15(20)14(17)19)13-8-12(16)5-4-11(13)3/h4-8H,1,9H2,2-3H3
InChIKeyQWJHVVBWZROFGF-UHFFFAOYSA-N
XLogP2.54
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.54
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-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione (CID 172906223) is 1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione is C=C(C)Cn1ccn(-c2cc(Cl)ccc2C)c(=O)c1=O.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione?
The InChIKey is QWJHVVBWZROFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10(2)9-17-6-7-18(15(20)14(17)19)13-8-12(16)5-4-11(13)3/h4-8H,1,9H2,2-3H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione?
1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione has a molecular weight of 290.75 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-(2-methylprop-2-enyl)pyrazine-2,3-dione is sourced from PubChem (CID 172906223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).