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

C14H15ClN2O2 — CID 7286911

IUPAC1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
SMILESCC(C)Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O
InChIInChI=1S/C14H15ClN2O2/c1-10(2)9-16-6-7-17(14(19)13(16)18)12-5-3-4-11(15)8-12/h3-8,10H,9H2,1-2H3
InChIKeyPGVPMRBUROQSMM-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.31
Rot. Bonds3

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

1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione (PubChem CID 7286911) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
PubChem CID7286911
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
SMILESCC(C)Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O
InChIInChI=1S/C14H15ClN2O2/c1-10(2)9-16-6-7-17(14(19)13(16)18)12-5-3-4-11(15)8-12/h3-8,10H,9H2,1-2H3
InChIKeyPGVPMRBUROQSMM-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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Related Compounds

Phenylacetylglycine Dimethylamide
CID 19536
1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327
N-(3-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16188853
1-(3-Chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
CID 2840997
1-(3-Chlorophenyl)-4-(2-methylpropyl)piperazine
CID 44276538
N-(3-chlorophenyl)-2-pyrrolidinylacetamide, chloride
CID 2917131
Piperazine, 1-(3-chlorophenyl)-4-(1-oxobutyl)-
CID 3072306
Clodacaine
CID 58616
N-(3-chlorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 558417
N-(4-Chloro-phenyl)-2-(cyclohexyl-methyl-amino)-acetamide
CID 788650
1-(3-Chlorophenyl)-4-(methoxyacetyl)piperazine
CID 808459
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2115027

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione?
The IUPAC name of 1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione (CID 7286911) is 1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione?
The canonical SMILES for 1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione is CC(C)Cn1ccn(-c2cccc(Cl)c2)c(=O)c1=O.
What is the InChIKey of 1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione?
The InChIKey is PGVPMRBUROQSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-10(2)9-16-6-7-17(14(19)13(16)18)12-5-3-4-11(15)8-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione?
1-(3-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-(3-chlorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione is sourced from PubChem (CID 7286911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).