1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione

C10H14N2O3 — CID 62928040

IUPAC1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione
SMILESCC(=O)CCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C10H14N2O3/c1-8(13)4-3-5-12-7-6-11(2)9(14)10(12)15/h6-7H,3-5H2,1-2H3
InChIKeyFDAMOZBFNHFKGT-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.08
Rot. Bonds4

About 1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione

1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione (PubChem CID 62928040) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione
PubChem CID62928040
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione
SMILESCC(=O)CCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C10H14N2O3/c1-8(13)4-3-5-12-7-6-11(2)9(14)10(12)15/h6-7H,3-5H2,1-2H3
InChIKeyFDAMOZBFNHFKGT-UHFFFAOYSA-N
XLogP-0.08
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-4-(4-oxopentyl)pyrazine-2,3-dione?
The IUPAC name of 1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione (CID 62928040) is 1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione?
The canonical SMILES for 1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione is CC(=O)CCCn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione?
The InChIKey is FDAMOZBFNHFKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-8(13)4-3-5-12-7-6-11(2)9(14)10(12)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione?
1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione has a molecular weight of 210.23 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione is sourced from PubChem (CID 62928040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).