3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione

C15H18N2O4 — CID 166996744

IUPAC3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C/C=C1/C(=O)N(C2CCC(=O)NC2=O)C(OC)/C1=C/C
InChIInChI=1S/C15H18N2O4/c1-4-6-10-9(5-2)15(21-3)17(14(10)20)11-7-8-12(18)16-13(11)19/h4-6,11,15H,1,7-8H2,2-3H3,(H,16,18,19)/b9-5+,10-6+
InChIKeyXZQLRCDLACQFHW-NXZHAISVSA-N
MW290.32 g/mol
LogP0.67
Rot. Bonds3

About 3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione

3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione (PubChem CID 166996744) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
PubChem CID166996744
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C/C=C1/C(=O)N(C2CCC(=O)NC2=O)C(OC)/C1=C/C
InChIInChI=1S/C15H18N2O4/c1-4-6-10-9(5-2)15(21-3)17(14(10)20)11-7-8-12(18)16-13(11)19/h4-6,11,15H,1,7-8H2,2-3H3,(H,16,18,19)/b9-5+,10-6+
InChIKeyXZQLRCDLACQFHW-NXZHAISVSA-N
XLogP0.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
CID 130441791
3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 154993594
ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione
CID 177343937
3-(3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 123483431
3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 170609618
ethane;methane;3-[(2E,3E)-4-methyl-2,3-bis(prop-2-enylidene)piperazin-1-yl]piperidine-2,6-dione
CID 177339089
2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde
CID 142596904
[(2E)-2-[(4E)-1-(2,6-dioxopiperidin-3-yl)-4-ethylidene-2-oxopyrrolidin-3-ylidene]ethylidene]tungsten
CID 171627444
3-[(3E)-3-(3-methylbut-2-enylidene)-4-methylidene-2-oxopyrrolidin-1-yl]piperidine-2,6-dione
CID 144997340
3-[(3E)-3-ethylidene-4-methyl-1-oxoisoindol-2-yl]piperidine-2,6-dione
CID 177344144
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione (CID 166996744) is 3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione is C=C/C=C1/C(=O)N(C2CCC(=O)NC2=O)C(OC)/C1=C/C.
What is the InChIKey of 3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione?
The InChIKey is XZQLRCDLACQFHW-NXZHAISVSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-6-10-9(5-2)15(21-3)17(14(10)20)11-7-8-12(18)16-13(11)19/h4-6,11,15H,1,7-8H2,2-3H3,(H,16,18,19)/b9-5+,10-6+.
What are the key properties of 3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione?
3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione has a molecular weight of 290.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 166996744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).