methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate

C10H14N2O4 — CID 62929432

IUPACmethyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate
SMILESCOC(=O)CCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C10H14N2O4/c1-11-6-7-12(10(15)9(11)14)5-3-4-8(13)16-2/h6-7H,3-5H2,1-2H3
InChIKeySXWMLVIGJRPJKN-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.50
Rot. Bonds4

About methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate

methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate (PubChem CID 62929432) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate
PubChem CID62929432
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate
SMILESCOC(=O)CCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C10H14N2O4/c1-11-6-7-12(10(15)9(11)14)5-3-4-8(13)16-2/h6-7H,3-5H2,1-2H3
InChIKeySXWMLVIGJRPJKN-UHFFFAOYSA-N
XLogP-0.50
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-(4-oxopentyl)pyrazine-2,3-dione
CID 62928040
methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
CID 104734631
methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate
CID 62960871
methyl 2-ethyl-4-(4-methyl-2,3-dioxopyrazin-1-yl)but-2-enoate
CID 79023601
1-methyl-4-[4-(2-methylpropylamino)butyl]pyrazine-2,3-dione
CID 55155095
methyl 2-methyl-4-(4-methyl-2,3-dioxopyrazin-1-yl)but-2-enoate
CID 79013893
methyl 4-(2-acetylpyrrol-1-yl)butanoate
CID 79106595
methyl 4-[3-(4-methoxy-4-oxobutyl)-2,4,5-trioxoimidazolidin-1-yl]butanoate
CID 21312566
methyl 4-(2-formylimidazol-1-yl)butanoate
CID 62223157
2,2-dimethyl-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanehydrazide
CID 79631179
methyl 12-[5-fluoro-3-(12-methoxy-12-oxododecyl)-2,4-dioxopyrimidin-1-yl]dodecanoate
CID 11664031
methyl 4-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanoate
CID 55026654

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate?
The IUPAC name of methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate (CID 62929432) is methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate.
What is the SMILES notation for methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate?
The canonical SMILES for methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate is COC(=O)CCCn1ccn(C)c(=O)c1=O.
What is the InChIKey of methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate?
The InChIKey is SXWMLVIGJRPJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-11-6-7-12(10(15)9(11)14)5-3-4-8(13)16-2/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate?
methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate has a molecular weight of 226.23 g/mol, XLogP of -0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate is sourced from PubChem (CID 62929432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).