1,4-bis(prop-2-enyl)piperazine-2,5-dione

C10H14N2O2 — CID 67938331

IUPAC1,4-bis(prop-2-enyl)piperazine-2,5-dione
SMILESC=CCN1CC(=O)N(CC=C)CC1=O
InChIInChI=1S/C10H14N2O2/c1-3-5-11-7-10(14)12(6-4-2)8-9(11)13/h3-4H,1-2,5-8H2
InChIKeyZJEDOZAYBZZGPQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.03
Rot. Bonds4

About 1,4-bis(prop-2-enyl)piperazine-2,5-dione

1,4-bis(prop-2-enyl)piperazine-2,5-dione (PubChem CID 67938331) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1,4-bis(prop-2-enyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-bis(prop-2-enyl)piperazine-2,5-dione
PubChem CID67938331
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1,4-bis(prop-2-enyl)piperazine-2,5-dione
SMILESC=CCN1CC(=O)N(CC=C)CC1=O
InChIInChI=1S/C10H14N2O2/c1-3-5-11-7-10(14)12(6-4-2)8-9(11)13/h3-4H,1-2,5-8H2
InChIKeyZJEDOZAYBZZGPQ-UHFFFAOYSA-N
XLogP0.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.03
H-Bond Donors ≤ 50
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 1,4-bis(prop-2-enyl)piperazine-2,5-dione?
The IUPAC name of 1,4-bis(prop-2-enyl)piperazine-2,5-dione (CID 67938331) is 1,4-bis(prop-2-enyl)piperazine-2,5-dione.
What is the SMILES notation for 1,4-bis(prop-2-enyl)piperazine-2,5-dione?
The canonical SMILES for 1,4-bis(prop-2-enyl)piperazine-2,5-dione is C=CCN1CC(=O)N(CC=C)CC1=O.
What is the InChIKey of 1,4-bis(prop-2-enyl)piperazine-2,5-dione?
The InChIKey is ZJEDOZAYBZZGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-5-11-7-10(14)12(6-4-2)8-9(11)13/h3-4H,1-2,5-8H2.
What are the key properties of 1,4-bis(prop-2-enyl)piperazine-2,5-dione?
1,4-bis(prop-2-enyl)piperazine-2,5-dione has a molecular weight of 194.23 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(prop-2-enyl)piperazine-2,5-dione is sourced from PubChem (CID 67938331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).