3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione

C11H18N2O2 — CID 114619332

IUPAC3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
SMILESC=C(C)CN1C(=O)C(CC)NC(=O)C1C
InChIInChI=1S/C11H18N2O2/c1-5-9-11(15)13(6-7(2)3)8(4)10(14)12-9/h8-9H,2,5-6H2,1,3-4H3,(H,12,14)
InChIKeyLIRVEEMUDBYQJX-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.69
Rot. Bonds3

About 3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione

3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione (PubChem CID 114619332) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
PubChem CID114619332
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
SMILESC=C(C)CN1C(=O)C(CC)NC(=O)C1C
InChIInChI=1S/C11H18N2O2/c1-5-9-11(15)13(6-7(2)3)8(4)10(14)12-9/h8-9H,2,5-6H2,1,3-4H3,(H,12,14)
InChIKeyLIRVEEMUDBYQJX-UHFFFAOYSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
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-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione (CID 114619332) is 3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione is C=C(C)CN1C(=O)C(CC)NC(=O)C1C.
What is the InChIKey of 3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione?
The InChIKey is LIRVEEMUDBYQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-9-11(15)13(6-7(2)3)8(4)10(14)12-9/h8-9H,2,5-6H2,1,3-4H3,(H,12,14).
What are the key properties of 3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione?
3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione has a molecular weight of 210.28 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione is sourced from PubChem (CID 114619332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).