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

C8H10N2O2 — CID 166103681

IUPAC4-(1-methylcyclopropyl)-1H-pyrazine-2,3-dione
SMILESCC1(n2cc[nH]c(=O)c2=O)CC1
InChIInChI=1S/C8H10N2O2/c1-8(2-3-8)10-5-4-9-6(11)7(10)12/h4-5H,2-3H2,1H3,(H,9,11)
InChIKeyLEMMUHKESZDFFV-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.05
Rot. Bonds1

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

4-(1-methylcyclopropyl)-1H-pyrazine-2,3-dione (PubChem CID 166103681) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-(1-methylcyclopropyl)-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-(1-methylcyclopropyl)-1H-pyrazine-2,3-dione
PubChem CID166103681
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4-(1-methylcyclopropyl)-1H-pyrazine-2,3-dione
SMILESCC1(n2cc[nH]c(=O)c2=O)CC1
InChIInChI=1S/C8H10N2O2/c1-8(2-3-8)10-5-4-9-6(11)7(10)12/h4-5H,2-3H2,1H3,(H,9,11)
InChIKeyLEMMUHKESZDFFV-UHFFFAOYSA-N
XLogP0.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.05
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-methylcyclopropyl)-1H-pyrazine-2,3-dione?
The IUPAC name of 4-(1-methylcyclopropyl)-1H-pyrazine-2,3-dione (CID 166103681) is 4-(1-methylcyclopropyl)-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-(1-methylcyclopropyl)-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-(1-methylcyclopropyl)-1H-pyrazine-2,3-dione is CC1(n2cc[nH]c(=O)c2=O)CC1.
What is the InChIKey of 4-(1-methylcyclopropyl)-1H-pyrazine-2,3-dione?
The InChIKey is LEMMUHKESZDFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-8(2-3-8)10-5-4-9-6(11)7(10)12/h4-5H,2-3H2,1H3,(H,9,11).
What are the key properties of 4-(1-methylcyclopropyl)-1H-pyrazine-2,3-dione?
4-(1-methylcyclopropyl)-1H-pyrazine-2,3-dione has a molecular weight of 166.18 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclopropyl)-1H-pyrazine-2,3-dione is sourced from PubChem (CID 166103681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).