1-prop-2-enylpiperazine-2,3-dione

C7H10N2O2 — CID 15572017

IUPAC1-prop-2-enylpiperazine-2,3-dione
SMILESC=CCN1CCNC(=O)C1=O
InChIInChI=1S/C7H10N2O2/c1-2-4-9-5-3-8-6(10)7(9)11/h2H,1,3-5H2,(H,8,10)
InChIKeyAUJJEEPDPZAHCL-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.87
Rot. Bonds2

About 1-prop-2-enylpiperazine-2,3-dione

1-prop-2-enylpiperazine-2,3-dione (PubChem CID 15572017) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-prop-2-enylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-prop-2-enylpiperazine-2,3-dione
PubChem CID15572017
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-prop-2-enylpiperazine-2,3-dione
SMILESC=CCN1CCNC(=O)C1=O
InChIInChI=1S/C7H10N2O2/c1-2-4-9-5-3-8-6(10)7(9)11/h2H,1,3-5H2,(H,8,10)
InChIKeyAUJJEEPDPZAHCL-UHFFFAOYSA-N
XLogP-0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpiperazine-2,3-dione?
The IUPAC name of 1-prop-2-enylpiperazine-2,3-dione (CID 15572017) is 1-prop-2-enylpiperazine-2,3-dione.
What is the SMILES notation for 1-prop-2-enylpiperazine-2,3-dione?
The canonical SMILES for 1-prop-2-enylpiperazine-2,3-dione is C=CCN1CCNC(=O)C1=O.
What is the InChIKey of 1-prop-2-enylpiperazine-2,3-dione?
The InChIKey is AUJJEEPDPZAHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-4-9-5-3-8-6(10)7(9)11/h2H,1,3-5H2,(H,8,10).
What are the key properties of 1-prop-2-enylpiperazine-2,3-dione?
1-prop-2-enylpiperazine-2,3-dione has a molecular weight of 154.17 g/mol, XLogP of -0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpiperazine-2,3-dione is sourced from PubChem (CID 15572017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).