1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione

C13H20N2O2 — CID 114013981

IUPAC1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(CC)NC(=O)C1C1CC1
InChIInChI=1S/C13H20N2O2/c1-3-5-8-15-11(9-6-7-9)12(16)14-10(4-2)13(15)17/h3,5,9-11H,4,6-8H2,1-2H3,(H,14,16)/b5-3+
InChIKeyCXAIZLZBHRMJOE-HWKANZROSA-N
MW236.31 g/mol
LogP1.08
Rot. Bonds4

About 1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione

1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione (PubChem CID 114013981) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione
PubChem CID114013981
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(CC)NC(=O)C1C1CC1
InChIInChI=1S/C13H20N2O2/c1-3-5-8-15-11(9-6-7-9)12(16)14-10(4-2)13(15)17/h3,5,9-11H,4,6-8H2,1-2H3,(H,14,16)/b5-3+
InChIKeyCXAIZLZBHRMJOE-HWKANZROSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione with MolForge

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Related Compounds

6-cyclopropyl-3-ethyl-1-propylpiperazine-2,5-dione
CID 64901468
6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione
CID 64902231
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64901847
6-cyclopropyl-3-ethyl-1-methylpiperazine-2,5-dione
CID 64903767
6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64903765
1-[(E)-but-2-enyl]-3,6-dicyclopropyl-3-methylpiperazine-2,5-dione
CID 107898352
1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107898373
6-cyclopropyl-1-[(5,5-dimethyloxolan-2-yl)methyl]-3-ethylpiperazine-2,5-dione
CID 116524712
1-[(5-chlorothiophen-2-yl)methyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione
CID 64901467
6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione
CID 64901093
1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
CID 114013993
6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
CID 114532475

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione (CID 114013981) is 1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione is C/C=C/CN1C(=O)C(CC)NC(=O)C1C1CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione?
The InChIKey is CXAIZLZBHRMJOE-HWKANZROSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-5-8-15-11(9-6-7-9)12(16)14-10(4-2)13(15)17/h3,5,9-11H,4,6-8H2,1-2H3,(H,14,16)/b5-3+.
What are the key properties of 1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione?
1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione has a molecular weight of 236.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione is sourced from PubChem (CID 114013981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).