3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione

C12H12N2O4 — CID 170609618

IUPAC3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C1C(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=C/C
InChIInChI=1S/C12H12N2O4/c1-3-7-6(2)11(17)14(12(7)18)8-4-5-9(15)13-10(8)16/h3,8H,2,4-5H2,1H3,(H,13,15,16)/b7-3+
InChIKeyWQFGKKRFDSXPKC-XVNBXDOJSA-N
MW248.24 g/mol
LogP-0.34
Rot. Bonds1

About 3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione

3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione (PubChem CID 170609618) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
PubChem CID170609618
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
SMILESC=C1C(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=C/C
InChIInChI=1S/C12H12N2O4/c1-3-7-6(2)11(17)14(12(7)18)8-4-5-9(15)13-10(8)16/h3,8H,2,4-5H2,1H3,(H,13,15,16)/b7-3+
InChIKeyWQFGKKRFDSXPKC-XVNBXDOJSA-N
XLogP-0.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.34
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

3-(3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 123483431
(3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane
CID 163267583
(3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
CID 130441791
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-[(3Z,4E)-3-(1-aminoprop-2-enylidene)-2-methylidene-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 154993594
3-[(3Z,4E)-3-[1-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-enylidene]-4-ethylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 170639222
3-[(3E)-3-ethylidene-4-methyl-1-oxoisoindol-2-yl]piperidine-2,6-dione
CID 177344144
3-(5-methyl-1-methylidene-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 170055897

Frequently Asked Questions

What is the IUPAC name of 3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione (CID 170609618) is 3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione is C=C1C(=O)N(C2CCC(=O)NC2=O)C(=O)/C1=C/C.
What is the InChIKey of 3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?
The InChIKey is WQFGKKRFDSXPKC-XVNBXDOJSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-3-7-6(2)11(17)14(12(7)18)8-4-5-9(15)13-10(8)16/h3,8H,2,4-5H2,1H3,(H,13,15,16)/b7-3+.
What are the key properties of 3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione?
3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione has a molecular weight of 248.24 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 170609618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).