(3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione

C10H12N2O2 — CID 98537630

IUPAC(3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione
SMILESC/C=c1\[nH]c(=O)/c(=C\C=C\C)[nH]c1=O
InChIInChI=1S/C10H12N2O2/c1-3-5-6-8-10(14)11-7(4-2)9(13)12-8/h3-6H,1-2H3,(H,11,14)(H,12,13)/b5-3+,7-4-,8-6+
InChIKeyUHBPRMLPYREFEJ-DIDNWENSSA-N
MW192.22 g/mol
LogP-0.78
Rot. Bonds1

About (3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione

(3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione (PubChem CID 98537630) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione
PubChem CID98537630
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione
SMILESC/C=c1\[nH]c(=O)/c(=C\C=C\C)[nH]c1=O
InChIInChI=1S/C10H12N2O2/c1-3-5-6-8-10(14)11-7(4-2)9(13)12-8/h3-6H,1-2H3,(H,11,14)(H,12,13)/b5-3+,7-4-,8-6+
InChIKeyUHBPRMLPYREFEJ-DIDNWENSSA-N
XLogP-0.78
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-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 (3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione?
The IUPAC name of (3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione (CID 98537630) is (3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione.
What is the SMILES notation for (3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione?
The canonical SMILES for (3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione is C/C=c1\[nH]c(=O)/c(=C\C=C\C)[nH]c1=O.
What is the InChIKey of (3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione?
The InChIKey is UHBPRMLPYREFEJ-DIDNWENSSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-5-6-8-10(14)11-7(4-2)9(13)12-8/h3-6H,1-2H3,(H,11,14)(H,12,13)/b5-3+,7-4-,8-6+.
What are the key properties of (3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione?
(3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione has a molecular weight of 192.22 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione is sourced from PubChem (CID 98537630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).