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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Related Compounds

1,4-Dimethyl-3-prop-2-enylpiperazine-2,5-dione
CID 11401152
(1R,3Z,6R)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione
CID 12152578
3,9-Diazabicyclo[3.3.1]non-6-en-2-one
CID 69409088
2-Acetamidopent-4-enamide
CID 23273486
7,9-Diazabicyclo[4.2.2]dec-3-ene-8,10-dione
CID 5255402
N-[2-(methylamino)-2-oxoethyl]pent-4-enamide
CID 176433233
(3Z)-7,9-diazabicyclo[4.2.2]dec-3-ene-8,10-dione
CID 6313653
N-methyl-2-(propanoylamino)pent-4-enamide
CID 22926605
3-Ethenyl-4-methylpiperazin-2-one
CID 54349314
2-amino-N-methylpent-4-enamide
CID 55285317
2-acetamido-N-methylpent-4-enamide
CID 58637759
N-[2-(ethylamino)-2-oxoethyl]pent-4-enamide
CID 58637784

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).