4-prop-1-en-2-yl-1H-pyrazine-2,3-dione

C7H8N2O2 — CID 89260633

IUPAC4-prop-1-en-2-yl-1H-pyrazine-2,3-dione
SMILESC=C(C)n1cc[nH]c(=O)c1=O
InChIInChI=1S/C7H8N2O2/c1-5(2)9-4-3-8-6(10)7(9)11/h3-4H,1H2,2H3,(H,8,10)
InChIKeyCDSMFGLYIIHHQW-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.03
Rot. Bonds1

About 4-prop-1-en-2-yl-1H-pyrazine-2,3-dione

4-prop-1-en-2-yl-1H-pyrazine-2,3-dione (PubChem CID 89260633) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-prop-1-en-2-yl-1H-pyrazine-2,3-dione
PubChem CID89260633
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name4-prop-1-en-2-yl-1H-pyrazine-2,3-dione
SMILESC=C(C)n1cc[nH]c(=O)c1=O
InChIInChI=1S/C7H8N2O2/c1-5(2)9-4-3-8-6(10)7(9)11/h3-4H,1H2,2H3,(H,8,10)
InChIKeyCDSMFGLYIIHHQW-UHFFFAOYSA-N
XLogP0.03
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.03
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-prop-1-en-2-yl-1H-pyrazine-2,3-dione?
The IUPAC name of 4-prop-1-en-2-yl-1H-pyrazine-2,3-dione (CID 89260633) is 4-prop-1-en-2-yl-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-prop-1-en-2-yl-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-prop-1-en-2-yl-1H-pyrazine-2,3-dione is C=C(C)n1cc[nH]c(=O)c1=O.
What is the InChIKey of 4-prop-1-en-2-yl-1H-pyrazine-2,3-dione?
The InChIKey is CDSMFGLYIIHHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5(2)9-4-3-8-6(10)7(9)11/h3-4H,1H2,2H3,(H,8,10).
What are the key properties of 4-prop-1-en-2-yl-1H-pyrazine-2,3-dione?
4-prop-1-en-2-yl-1H-pyrazine-2,3-dione has a molecular weight of 152.15 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-1H-pyrazine-2,3-dione is sourced from PubChem (CID 89260633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).