3-prop-2-enylpiperazine-2,5-dione

C7H10N2O2 — CID 57358332

IUPAC3-prop-2-enylpiperazine-2,5-dione
SMILESC=CCC1NC(=O)CNC1=O
InChIInChI=1S/C7H10N2O2/c1-2-3-5-7(11)8-4-6(10)9-5/h2,5H,1,3-4H2,(H,8,11)(H,9,10)
InChIKeyQPEIOXNORVBMGJ-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.82
Rot. Bonds2

About 3-prop-2-enylpiperazine-2,5-dione

3-prop-2-enylpiperazine-2,5-dione (PubChem CID 57358332) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-prop-2-enylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-prop-2-enylpiperazine-2,5-dione
PubChem CID57358332
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-prop-2-enylpiperazine-2,5-dione
SMILESC=CCC1NC(=O)CNC1=O
InChIInChI=1S/C7H10N2O2/c1-2-3-5-7(11)8-4-6(10)9-5/h2,5H,1,3-4H2,(H,8,11)(H,9,10)
InChIKeyQPEIOXNORVBMGJ-UHFFFAOYSA-N
XLogP-0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.82
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-prop-2-enylpiperazine-2,5-dione?
The IUPAC name of 3-prop-2-enylpiperazine-2,5-dione (CID 57358332) is 3-prop-2-enylpiperazine-2,5-dione.
What is the SMILES notation for 3-prop-2-enylpiperazine-2,5-dione?
The canonical SMILES for 3-prop-2-enylpiperazine-2,5-dione is C=CCC1NC(=O)CNC1=O.
What is the InChIKey of 3-prop-2-enylpiperazine-2,5-dione?
The InChIKey is QPEIOXNORVBMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-3-5-7(11)8-4-6(10)9-5/h2,5H,1,3-4H2,(H,8,11)(H,9,10).
What are the key properties of 3-prop-2-enylpiperazine-2,5-dione?
3-prop-2-enylpiperazine-2,5-dione has a molecular weight of 154.17 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylpiperazine-2,5-dione is sourced from PubChem (CID 57358332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).