3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione

C15H19N3O3 — CID 171786204

IUPAC3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione
SMILESC/C=C\C=c1/c(=C\C)n(C)c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C15H19N3O3/c1-4-6-7-11-10(5-2)17(3)15(21)18(11)12-8-9-13(19)16-14(12)20/h4-7,12H,8-9H2,1-3H3,(H,16,19,20)/b6-4-,10-5+,11-7+
InChIKeySNOUXUNMGODCGL-NNEIEZNRSA-N
MW289.34 g/mol
LogP-0.68
Rot. Bonds2

About 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione

3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione (PubChem CID 171786204) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione
PubChem CID171786204
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione
SMILESC/C=C\C=c1/c(=C\C)n(C)c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C15H19N3O3/c1-4-6-7-11-10(5-2)17(3)15(21)18(11)12-8-9-13(19)16-14(12)20/h4-7,12H,8-9H2,1-3H3,(H,16,19,20)/b6-4-,10-5+,11-7+
InChIKeySNOUXUNMGODCGL-NNEIEZNRSA-N
XLogP-0.68
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3,4-dimethyl-2-oxo-5-[(Z)-prop-1-enyl]imidazol-1-yl]piperidine-2,6-dione
CID 156799097
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazol-3-yl]piperidine-2,6-dione
CID 176933299
(3S)-3-[4-[(E)-1-aminoprop-1-enyl]-5-ethenyl-3-methyl-2-oxoimidazol-1-yl]piperidine-2,6-dione
CID 177240420
ethane;3-[(4E,5E)-5-ethylidene-2-oxo-4-propylidene-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 177009783
3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 156836715
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 138727887
3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138727888
[(2E)-2-[(4E)-1-(2,6-dioxopiperidin-3-yl)-4-ethylidene-2-oxopyrrolidin-3-ylidene]ethylidene]tungsten
CID 171627444
3-[4-methyl-5-oxo-3-[(Z)-prop-1-enyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 155296764
3-[5-(4-but-3-enylphenyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 156799356

Frequently Asked Questions

What is the IUPAC name of 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione (CID 171786204) is 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione is C/C=C\C=c1/c(=C\C)n(C)c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione?
The InChIKey is SNOUXUNMGODCGL-NNEIEZNRSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-6-7-11-10(5-2)17(3)15(21)18(11)12-8-9-13(19)16-14(12)20/h4-7,12H,8-9H2,1-3H3,(H,16,19,20)/b6-4-,10-5+,11-7+.
What are the key properties of 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione?
3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione has a molecular weight of 289.34 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-3-methyl-2-oxoimidazolidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 171786204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).