5,6-dibromopiperazine-2,3-dione

C4H4Br2N2O2 — CID 175346621

IUPAC5,6-dibromopiperazine-2,3-dione
SMILESO=C1NC(Br)C(Br)NC1=O
InChIInChI=1S/C4H4Br2N2O2/c5-1-2(6)8-4(10)3(9)7-1/h1-2H,(H,7,9)(H,8,10)
InChIKeyWDGGAECDEKBYBC-UHFFFAOYSA-N
MW271.90 g/mol
LogP-0.33
Rot. Bonds

About 5,6-dibromopiperazine-2,3-dione

5,6-dibromopiperazine-2,3-dione (PubChem CID 175346621) has the molecular formula C4H4Br2N2O2 and a molecular weight of 271.90 g/mol. Its IUPAC name is 5,6-dibromopiperazine-2,3-dione.

Molecular Properties

Compound Name5,6-dibromopiperazine-2,3-dione
PubChem CID175346621
Molecular FormulaC4H4Br2N2O2
Molecular Weight271.90 g/mol
Exact Mass269.86
IUPAC Name5,6-dibromopiperazine-2,3-dione
SMILESO=C1NC(Br)C(Br)NC1=O
InChIInChI=1S/C4H4Br2N2O2/c5-1-2(6)8-4(10)3(9)7-1/h1-2H,(H,7,9)(H,8,10)
InChIKeyWDGGAECDEKBYBC-UHFFFAOYSA-N
XLogP-0.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.90
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibromopiperazine-2,3-dione?
The IUPAC name of 5,6-dibromopiperazine-2,3-dione (CID 175346621) is 5,6-dibromopiperazine-2,3-dione.
What is the SMILES notation for 5,6-dibromopiperazine-2,3-dione?
The canonical SMILES for 5,6-dibromopiperazine-2,3-dione is O=C1NC(Br)C(Br)NC1=O.
What is the InChIKey of 5,6-dibromopiperazine-2,3-dione?
The InChIKey is WDGGAECDEKBYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br2N2O2/c5-1-2(6)8-4(10)3(9)7-1/h1-2H,(H,7,9)(H,8,10).
What are the key properties of 5,6-dibromopiperazine-2,3-dione?
5,6-dibromopiperazine-2,3-dione has a molecular weight of 271.90 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromopiperazine-2,3-dione is sourced from PubChem (CID 175346621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).