4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione

C9H12N2O2 — CID 166103906

IUPAC4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione
SMILESCC1(n2cc[nH]c(=O)c2=O)CCC1
InChIInChI=1S/C9H12N2O2/c1-9(3-2-4-9)11-6-5-10-7(12)8(11)13/h5-6H,2-4H2,1H3,(H,10,12)
InChIKeyCGVXEYVETYSURQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.44
Rot. Bonds1

About 4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione

4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione (PubChem CID 166103906) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione
PubChem CID166103906
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione
SMILESCC1(n2cc[nH]c(=O)c2=O)CCC1
InChIInChI=1S/C9H12N2O2/c1-9(3-2-4-9)11-6-5-10-7(12)8(11)13/h5-6H,2-4H2,1H3,(H,10,12)
InChIKeyCGVXEYVETYSURQ-UHFFFAOYSA-N
XLogP0.44
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione?
The IUPAC name of 4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione (CID 166103906) is 4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione is CC1(n2cc[nH]c(=O)c2=O)CCC1.
What is the InChIKey of 4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione?
The InChIKey is CGVXEYVETYSURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-9(3-2-4-9)11-6-5-10-7(12)8(11)13/h5-6H,2-4H2,1H3,(H,10,12).
What are the key properties of 4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione?
4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione has a molecular weight of 180.21 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclobutyl)-1H-pyrazine-2,3-dione is sourced from PubChem (CID 166103906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).