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

C7H8N2O3 — CID 18741245

IUPAC4-(2-oxopropyl)-1H-pyrazine-2,3-dione
SMILESCC(=O)Cn1cc[nH]c(=O)c1=O
InChIInChI=1S/C7H8N2O3/c1-5(10)4-9-3-2-8-6(11)7(9)12/h2-3H,4H2,1H3,(H,8,11)
InChIKeyRLZNXCOXDVGFDB-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.87
Rot. Bonds2

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

4-(2-oxopropyl)-1H-pyrazine-2,3-dione (PubChem CID 18741245) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-(2-oxopropyl)-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-(2-oxopropyl)-1H-pyrazine-2,3-dione
PubChem CID18741245
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name4-(2-oxopropyl)-1H-pyrazine-2,3-dione
SMILESCC(=O)Cn1cc[nH]c(=O)c1=O
InChIInChI=1S/C7H8N2O3/c1-5(10)4-9-3-2-8-6(11)7(9)12/h2-3H,4H2,1H3,(H,8,11)
InChIKeyRLZNXCOXDVGFDB-UHFFFAOYSA-N
XLogP-0.87
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1,2,3,4-tetrahydropyrazine-2,3-dione
CID 13366344
1-Ethyl-1,4-dihydropyrazine-2,3-dione
CID 13366245
1-Isopropyl-1,4-dihydropyrazine-2,3-dione
CID 13366346
5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione
CID 18741244
N-methyl-2-(methylamino)-N-(2-oxopropyl)acetamide
CID 53761214
4-Butyl-1,3-dihydropyrazin-2-one
CID 54189182
1-Cyclopropyl-1,2,3,4-tetrahydropyrazine-2,3-dione
CID 54412693
4-tert-butyl-1H-pyrazine-2,3-dione
CID 58320684
4-Propan-2-yl-1,2-dihydropyrazin-3-one
CID 58345348
4-[(3S)-2-oxopentan-3-yl]-1H-pyrazine-2,3-dione
CID 59125794
1,4-Dihydropyrazine-2,3-dione;ethane
CID 66844377
2-acetamido-N-ethenylacetamide
CID 89215312

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopropyl)-1H-pyrazine-2,3-dione?
The IUPAC name of 4-(2-oxopropyl)-1H-pyrazine-2,3-dione (CID 18741245) is 4-(2-oxopropyl)-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-(2-oxopropyl)-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-(2-oxopropyl)-1H-pyrazine-2,3-dione is CC(=O)Cn1cc[nH]c(=O)c1=O.
What is the InChIKey of 4-(2-oxopropyl)-1H-pyrazine-2,3-dione?
The InChIKey is RLZNXCOXDVGFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5(10)4-9-3-2-8-6(11)7(9)12/h2-3H,4H2,1H3,(H,8,11).
What are the key properties of 4-(2-oxopropyl)-1H-pyrazine-2,3-dione?
4-(2-oxopropyl)-1H-pyrazine-2,3-dione has a molecular weight of 168.15 g/mol, XLogP of -0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopropyl)-1H-pyrazine-2,3-dione is sourced from PubChem (CID 18741245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).