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

C12H18N2O2 — CID 107898373

IUPAC1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(C2CC2)NC(=O)C1C
InChIInChI=1S/C12H18N2O2/c1-3-4-7-14-8(2)11(15)13-10(12(14)16)9-5-6-9/h3-4,8-10H,5-7H2,1-2H3,(H,13,15)/b4-3+
InChIKeyPLSJVGFZLZCUMR-ONEGZZNKSA-N
MW222.29 g/mol
LogP0.69
Rot. Bonds3

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

1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione (PubChem CID 107898373) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
PubChem CID107898373
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(C2CC2)NC(=O)C1C
InChIInChI=1S/C12H18N2O2/c1-3-4-7-14-8(2)11(15)13-10(12(14)16)9-5-6-9/h3-4,8-10H,5-7H2,1-2H3,(H,13,15)/b4-3+
InChIKeyPLSJVGFZLZCUMR-ONEGZZNKSA-N
XLogP0.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
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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Related Compounds

3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione
CID 64885417
1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione
CID 107898379
1-[(E)-but-2-enyl]-3-cyclopropyl-6-propylpiperazine-2,5-dione
CID 114013993
1-(cyclopentylmethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64887134
3-butan-2-yl-1-[(E)-but-2-enyl]-6-methylpiperazine-2,5-dione
CID 114013986
3-cyclopropyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64887519
3-cyclopropyl-6-methyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64967234
3-cyclopropyl-1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione
CID 64960096
1-[(E)-but-2-enyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione
CID 114013981
1-[(E)-but-2-enyl]-3-cyclohexyl-1,4-diazepane-2,5-dione
CID 107898452
3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64886563
3-cyclopropyl-6-methyl-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64887135

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione (CID 107898373) is 1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione is C/C=C/CN1C(=O)C(C2CC2)NC(=O)C1C.
What is the InChIKey of 1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione?
The InChIKey is PLSJVGFZLZCUMR-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-7-14-8(2)11(15)13-10(12(14)16)9-5-6-9/h3-4,8-10H,5-7H2,1-2H3,(H,13,15)/b4-3+.
What are the key properties of 1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione?
1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione has a molecular weight of 222.29 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 1-[(E)-but-2-enyl]-3-cyclopropyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 107898373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).