4-cyclopentyl-1H-pyrazine-2,3-dione

C9H12N2O2 — CID 121199574

IUPAC4-cyclopentyl-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(C2CCCC2)c1=O
InChIInChI=1S/C9H12N2O2/c12-8-9(13)11(6-5-10-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,10,12)
InChIKeyJMUHOTOAPAQFBG-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.65
Rot. Bonds1

About 4-cyclopentyl-1H-pyrazine-2,3-dione

4-cyclopentyl-1H-pyrazine-2,3-dione (PubChem CID 121199574) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-cyclopentyl-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-cyclopentyl-1H-pyrazine-2,3-dione
PubChem CID121199574
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-cyclopentyl-1H-pyrazine-2,3-dione
SMILESO=c1[nH]ccn(C2CCCC2)c1=O
InChIInChI=1S/C9H12N2O2/c12-8-9(13)11(6-5-10-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,10,12)
InChIKeyJMUHOTOAPAQFBG-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
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-cyclopentyl-1H-pyrazine-2,3-dione?
The IUPAC name of 4-cyclopentyl-1H-pyrazine-2,3-dione (CID 121199574) is 4-cyclopentyl-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-cyclopentyl-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-cyclopentyl-1H-pyrazine-2,3-dione is O=c1[nH]ccn(C2CCCC2)c1=O.
What is the InChIKey of 4-cyclopentyl-1H-pyrazine-2,3-dione?
The InChIKey is JMUHOTOAPAQFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-9(13)11(6-5-10-8)7-3-1-2-4-7/h5-7H,1-4H2,(H,10,12).
What are the key properties of 4-cyclopentyl-1H-pyrazine-2,3-dione?
4-cyclopentyl-1H-pyrazine-2,3-dione has a molecular weight of 180.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1H-pyrazine-2,3-dione is sourced from PubChem (CID 121199574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).