3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione

C10H16N2O2 — CID 114619345

IUPAC3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
SMILESC=C(C)CN1CC(=O)NC(CC)C1=O
InChIInChI=1S/C10H16N2O2/c1-4-8-10(14)12(5-7(2)3)6-9(13)11-8/h8H,2,4-6H2,1,3H3,(H,11,13)
InChIKeyDXZVHOLBZYOGIR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.30
Rot. Bonds3

About 3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione

3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione (PubChem CID 114619345) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
PubChem CID114619345
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
SMILESC=C(C)CN1CC(=O)NC(CC)C1=O
InChIInChI=1S/C10H16N2O2/c1-4-8-10(14)12(5-7(2)3)6-9(13)11-8/h8H,2,4-6H2,1,3H3,(H,11,13)
InChIKeyDXZVHOLBZYOGIR-UHFFFAOYSA-N
XLogP0.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-methylpiperazine-2,5-dione
CID 64880969
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64966881
3-ethyl-1-pent-3-ynylpiperazine-2,5-dione
CID 116645631
3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619332
3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64967600
1-[(4-chlorophenyl)methyl]-3-ethylpiperazine-2,5-dione
CID 64879991
3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64967153
1-cycloheptyl-3-ethylpiperazine-2,5-dione
CID 64960288
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
CID 64879994
(5S)-3-(2-chloroprop-2-enyl)-5-ethylimidazolidine-2,4-dione
CID 130751870
3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619343
1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione
CID 83039442

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione (CID 114619345) is 3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione is C=C(C)CN1CC(=O)NC(CC)C1=O.
What is the InChIKey of 3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione?
The InChIKey is DXZVHOLBZYOGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-8-10(14)12(5-7(2)3)6-9(13)11-8/h8H,2,4-6H2,1,3H3,(H,11,13).
What are the key properties of 3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione?
3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione is sourced from PubChem (CID 114619345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).