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

C10H12N2O2 — CID 54598667

IUPAC(3E,6E)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione
SMILESC/C=C/C=c1/[nH]c(=O)/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-SFVMLHGBSA-N
MW192.22 g/mol
LogP-0.78
Rot. Bonds1

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

(3E,6E)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione (PubChem CID 54598667) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (3E,6E)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(3E,6E)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione
PubChem CID54598667
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(3E,6E)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione
SMILESC/C=C/C=c1/[nH]c(=O)/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-SFVMLHGBSA-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

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Related Compounds

2,2'-Bipyridine-6,6'-diol
CID 363601
3-Amino-6-methylpyridin-2-ol
CID 15144835
(3Z,6Z)-3,6-di(ethylidene)piperazine-2,5-dione
CID 44383794
(3Z,6Z)-3-[(E)-but-2-enylidene]-6-propylidenepiperazine-2,5-dione
CID 44383837
(3Z,6Z)-3-[(E)-but-2-enylidene]-6-(2-methylpropylidene)piperazine-2,5-dione
CID 44383964
(3Z,6Z)-3-ethylidene-6-propylidenepiperazine-2,5-dione
CID 44384457
(3Z,6Z)-3,6-di(propylidene)piperazine-2,5-dione
CID 44385118
(3Z,6Z)-3-[(E)-but-2-enylidene]-6-ethylidene-piperazine-2,5-dione
CID 44385243
(3Z,6Z)-3-[(E)-but-2-enylidene]-6-hexylidenepiperazine-2,5-dione
CID 44385285
(3Z,6Z)-3,6-bis[(E)-but-2-enylidene]piperazine-2,5-dione
CID 44385286
1-Fluoro-6-oxopyridine-2-carboxamide
CID 174852171
1-Methyl-6-oxo-1,6-dihydropyridine-2-carboxamide
CID 12286528

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione?
The IUPAC name of (3E,6E)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione (CID 54598667) is (3E,6E)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione.
What is the SMILES notation for (3E,6E)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione?
The canonical SMILES for (3E,6E)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione is C/C=C/C=c1/[nH]c(=O)/c(=C\C)[nH]c1=O.
What is the InChIKey of (3E,6E)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione?
The InChIKey is UHBPRMLPYREFEJ-SFVMLHGBSA-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,6E)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione?
(3E,6E)-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,6E)-3-[(E)-but-2-enylidene]-6-ethylidenepiperazine-2,5-dione is sourced from PubChem (CID 54598667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).