1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione

C15H24N2O2 — CID 107898379

IUPAC1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(C2CC2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-5-6-9-17-12(15(2,3)4)13(18)16-11(14(17)19)10-7-8-10/h5-6,10-12H,7-9H2,1-4H3,(H,16,18)/b6-5+
InChIKeyXUCCVZOGFCOIQC-AATRIKPKSA-N
MW264.37 g/mol
LogP1.71
Rot. Bonds3

About 1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione

1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione (PubChem CID 107898379) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione
PubChem CID107898379
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione
SMILESC/C=C/CN1C(=O)C(C2CC2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-5-6-9-17-12(15(2,3)4)13(18)16-11(14(17)19)10-7-8-10/h5-6,10-12H,7-9H2,1-4H3,(H,16,18)/b6-5+
InChIKeyXUCCVZOGFCOIQC-AATRIKPKSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.71
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 1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione (CID 107898379) is 1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione is C/C=C/CN1C(=O)C(C2CC2)NC(=O)C1C(C)(C)C.
What is the InChIKey of 1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione?
The InChIKey is XUCCVZOGFCOIQC-AATRIKPKSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-6-9-17-12(15(2,3)4)13(18)16-11(14(17)19)10-7-8-10/h5-6,10-12H,7-9H2,1-4H3,(H,16,18)/b6-5+.
What are the key properties of 1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione?
1-[(E)-but-2-enyl]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione has a molecular weight of 264.37 g/mol, XLogP of 1.71, 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]-6-tert-butyl-3-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 107898379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).