(3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione

C13H12N2O4 — CID 130441791

IUPAC(3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
SMILESC=C/C=C1/C(=O)N(C2CC(=O)NC2=O)C(=O)/C1=C/C
InChIInChI=1S/C13H12N2O4/c1-3-5-8-7(4-2)12(18)15(13(8)19)9-6-10(16)14-11(9)17/h3-5,9H,1,6H2,2H3,(H,14,16,17)/b7-4+,8-5+
InChIKeyOVRDQLBEOVDJEA-NSLJXJERSA-N
MW260.25 g/mol
LogP-0.17
Rot. Bonds2

About (3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione

(3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione (PubChem CID 130441791) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is (3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
PubChem CID130441791
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name(3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione
SMILESC=C/C=C1/C(=O)N(C2CC(=O)NC2=O)C(=O)/C1=C/C
InChIInChI=1S/C13H12N2O4/c1-3-5-8-7(4-2)12(18)15(13(8)19)9-6-10(16)14-11(9)17/h3-5,9H,1,6H2,2H3,(H,14,16,17)/b7-4+,8-5+
InChIKeyOVRDQLBEOVDJEA-NSLJXJERSA-N
XLogP-0.17
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.17
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'}

Analyze (3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-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

Related Compounds

3-[(3E)-3-ethylidene-4-methylidene-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 170609618
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
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-[(3E,4E)-3-ethylidene-2-methoxy-5-oxo-4-prop-2-enylidenepyrrolidin-1-yl]piperidine-2,6-dione
CID 166996744
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
ethane;3-[(2E,3E)-3-ethylidene-2-prop-2-enylidenepiperazin-1-yl]piperidine-2,6-dione
CID 177343937
2-(2,5-dioxopyrrolidin-3-yl)-5-methylsulfanylisoindole-1,3-dione
CID 175620579
(2S,6S)-4-[(3R)-2,5-dioxopyrrolidin-3-yl]-4-azatricyclo[5.2.2.02,6]undecane-3,5-dione
CID 92527515
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione
CID 170907328
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587

Frequently Asked Questions

What is the IUPAC name of (3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione?
The IUPAC name of (3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione (CID 130441791) is (3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione.
What is the SMILES notation for (3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione?
The canonical SMILES for (3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione is C=C/C=C1/C(=O)N(C2CC(=O)NC2=O)C(=O)/C1=C/C.
What is the InChIKey of (3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione?
The InChIKey is OVRDQLBEOVDJEA-NSLJXJERSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-3-5-8-7(4-2)12(18)15(13(8)19)9-6-10(16)14-11(9)17/h3-5,9H,1,6H2,2H3,(H,14,16,17)/b7-4+,8-5+.
What are the key properties of (3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione?
(3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione has a molecular weight of 260.25 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-1-(2,5-dioxopyrrolidin-3-yl)-3-ethylidene-4-prop-2-enylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 130441791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).