1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione

C12H20N2O2 — CID 107902421

IUPAC1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)=CCN1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C12H20N2O2/c1-8(2)5-6-14-7-10(15)13-11(9(3)4)12(14)16/h5,9,11H,6-7H2,1-4H3,(H,13,15)
InChIKeyFEWQRLDTVWHHLS-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.94
Rot. Bonds3

About 1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione

1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 107902421) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID107902421
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)=CCN1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C12H20N2O2/c1-8(2)5-6-14-7-10(15)13-11(9(3)4)12(14)16/h5,9,11H,6-7H2,1-4H3,(H,13,15)
InChIKeyFEWQRLDTVWHHLS-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902440
1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 80697304
1-(2-methylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64879559
3-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione
CID 79350115
1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 103465478
1-(1-cyclopropylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64971884
1-[(4-methylphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64879368
1-(4-methylpentan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64960093
1-(2-ethoxy-2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 114944470
1-(2-ethylhexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64880912
1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 103184685
1-[(2-bromophenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64881106

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione (CID 107902421) is 1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)=CCN1CC(=O)NC(C(C)C)C1=O.
What is the InChIKey of 1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is FEWQRLDTVWHHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(2)5-6-14-7-10(15)13-11(9(3)4)12(14)16/h5,9,11H,6-7H2,1-4H3,(H,13,15).
What are the key properties of 1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107902421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).