(3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione

C15H23N3O2 — CID 139417873

IUPAC(3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione
SMILESC/C=N/C(/C=C1\NC(=O)CN(C)C1=O)=C(\C)C(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-7-16-11(10(2)15(3,4)5)8-12-14(20)18(6)9-13(19)17-12/h7-8H,9H2,1-6H3,(H,17,19)/b11-10+,12-8-,16-7+
InChIKeyJPSYLWYERLWSBW-XAPJPKJJSA-N
MW277.37 g/mol
LogP1.87
Rot. Bonds2

About (3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione

(3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione (PubChem CID 139417873) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione
PubChem CID139417873
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione
SMILESC/C=N/C(/C=C1\NC(=O)CN(C)C1=O)=C(\C)C(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-7-16-11(10(2)15(3,4)5)8-12-14(20)18(6)9-13(19)17-12/h7-8H,9H2,1-6H3,(H,17,19)/b11-10+,12-8-,16-7+
InChIKeyJPSYLWYERLWSBW-XAPJPKJJSA-N
XLogP1.87
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione?
The IUPAC name of (3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione (CID 139417873) is (3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione.
What is the SMILES notation for (3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione?
The canonical SMILES for (3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione is C/C=N/C(/C=C1\NC(=O)CN(C)C1=O)=C(\C)C(C)(C)C.
What is the InChIKey of (3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione?
The InChIKey is JPSYLWYERLWSBW-XAPJPKJJSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-7-16-11(10(2)15(3,4)5)8-12-14(20)18(6)9-13(19)17-12/h7-8H,9H2,1-6H3,(H,17,19)/b11-10+,12-8-,16-7+.
What are the key properties of (3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione?
(3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione has a molecular weight of 277.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-2-(ethylideneamino)-3,4,4-trimethylpent-2-enylidene]-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 139417873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).