3,6-bis(prop-2-enyl)piperazine-2,5-dione

C10H14N2O2 — CID 67050126

IUPAC3,6-bis(prop-2-enyl)piperazine-2,5-dione
SMILESC=CCC1NC(=O)C(CC=C)NC1=O
InChIInChI=1S/C10H14N2O2/c1-3-5-7-9(13)12-8(6-4-2)10(14)11-7/h3-4,7-8H,1-2,5-6H2,(H,11,14)(H,12,13)
InChIKeyAFAPAPYOYDBGCF-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.12
Rot. Bonds4

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

3,6-bis(prop-2-enyl)piperazine-2,5-dione (PubChem CID 67050126) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3,6-bis(prop-2-enyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-bis(prop-2-enyl)piperazine-2,5-dione
PubChem CID67050126
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3,6-bis(prop-2-enyl)piperazine-2,5-dione
SMILESC=CCC1NC(=O)C(CC=C)NC1=O
InChIInChI=1S/C10H14N2O2/c1-3-5-7-9(13)12-8(6-4-2)10(14)11-7/h3-4,7-8H,1-2,5-6H2,(H,11,14)(H,12,13)
InChIKeyAFAPAPYOYDBGCF-UHFFFAOYSA-N
XLogP0.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.12
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(prop-2-enyl)piperazine-2,5-dione?
The IUPAC name of 3,6-bis(prop-2-enyl)piperazine-2,5-dione (CID 67050126) is 3,6-bis(prop-2-enyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-bis(prop-2-enyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-bis(prop-2-enyl)piperazine-2,5-dione is C=CCC1NC(=O)C(CC=C)NC1=O.
What is the InChIKey of 3,6-bis(prop-2-enyl)piperazine-2,5-dione?
The InChIKey is AFAPAPYOYDBGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-5-7-9(13)12-8(6-4-2)10(14)11-7/h3-4,7-8H,1-2,5-6H2,(H,11,14)(H,12,13).
What are the key properties of 3,6-bis(prop-2-enyl)piperazine-2,5-dione?
3,6-bis(prop-2-enyl)piperazine-2,5-dione has a molecular weight of 194.23 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(prop-2-enyl)piperazine-2,5-dione is sourced from PubChem (CID 67050126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).