3,6-bis(ethenyl)piperazine-2,5-dione

C8H10N2O2 — CID 59711095

IUPAC3,6-bis(ethenyl)piperazine-2,5-dione
SMILESC=CC1NC(=O)C(C=C)NC1=O
InChIInChI=1S/C8H10N2O2/c1-3-5-7(11)10-6(4-2)8(12)9-5/h3-6H,1-2H2,(H,9,12)(H,10,11)
InChIKeyYEIUSIBWNPKZJZ-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.66
Rot. Bonds2

About 3,6-bis(ethenyl)piperazine-2,5-dione

3,6-bis(ethenyl)piperazine-2,5-dione (PubChem CID 59711095) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3,6-bis(ethenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-bis(ethenyl)piperazine-2,5-dione
PubChem CID59711095
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3,6-bis(ethenyl)piperazine-2,5-dione
SMILESC=CC1NC(=O)C(C=C)NC1=O
InChIInChI=1S/C8H10N2O2/c1-3-5-7(11)10-6(4-2)8(12)9-5/h3-6H,1-2H2,(H,9,12)(H,10,11)
InChIKeyYEIUSIBWNPKZJZ-UHFFFAOYSA-N
XLogP-0.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(ethenyl)piperazine-2,5-dione?
The IUPAC name of 3,6-bis(ethenyl)piperazine-2,5-dione (CID 59711095) is 3,6-bis(ethenyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-bis(ethenyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-bis(ethenyl)piperazine-2,5-dione is C=CC1NC(=O)C(C=C)NC1=O.
What is the InChIKey of 3,6-bis(ethenyl)piperazine-2,5-dione?
The InChIKey is YEIUSIBWNPKZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-5-7(11)10-6(4-2)8(12)9-5/h3-6H,1-2H2,(H,9,12)(H,10,11).
What are the key properties of 3,6-bis(ethenyl)piperazine-2,5-dione?
3,6-bis(ethenyl)piperazine-2,5-dione has a molecular weight of 166.18 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(ethenyl)piperazine-2,5-dione is sourced from PubChem (CID 59711095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).