1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione

C14H15ClN2O2 — CID 30566086

IUPAC1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
SMILESCC(C)Cn1ccn(-c2ccc(Cl)cc2)c(=O)c1=O
InChIInChI=1S/C14H15ClN2O2/c1-10(2)9-16-7-8-17(14(19)13(16)18)12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3
InChIKeyBDIXCBBSCZEFMT-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.31
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione

1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione (PubChem CID 30566086) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
PubChem CID30566086
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
SMILESCC(C)Cn1ccn(-c2ccc(Cl)cc2)c(=O)c1=O
InChIInChI=1S/C14H15ClN2O2/c1-10(2)9-16-7-8-17(14(19)13(16)18)12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3
InChIKeyBDIXCBBSCZEFMT-UHFFFAOYSA-N
XLogP2.31
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.31
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-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione?
The IUPAC name of 1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione (CID 30566086) is 1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione?
The canonical SMILES for 1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione is CC(C)Cn1ccn(-c2ccc(Cl)cc2)c(=O)c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione?
The InChIKey is BDIXCBBSCZEFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10(2)9-16-7-8-17(14(19)13(16)18)12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione?
1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione has a molecular weight of 278.74 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione is sourced from PubChem (CID 30566086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).