(4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione

C11H11NO3 — CID 89186760

IUPAC(4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione
SMILESC=C1/C(=C\C=C/C)C(=O)C(=O)N1C(C)=O
InChIInChI=1S/C11H11NO3/c1-4-5-6-9-7(2)12(8(3)13)11(15)10(9)14/h4-6H,2H2,1,3H3/b5-4-,9-6+
InChIKeyIZBZQUCCHIGVOP-KMOPYBJPSA-N
MW205.21 g/mol
LogP0.96
Rot. Bonds1

About (4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione

(4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione (PubChem CID 89186760) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione
PubChem CID89186760
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione
SMILESC=C1/C(=C\C=C/C)C(=O)C(=O)N1C(C)=O
InChIInChI=1S/C11H11NO3/c1-4-5-6-9-7(2)12(8(3)13)11(15)10(9)14/h4-6H,2H2,1,3H3/b5-4-,9-6+
InChIKeyIZBZQUCCHIGVOP-KMOPYBJPSA-N
XLogP0.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione?
The IUPAC name of (4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione (CID 89186760) is (4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione?
The canonical SMILES for (4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione is C=C1/C(=C\C=C/C)C(=O)C(=O)N1C(C)=O.
What is the InChIKey of (4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione?
The InChIKey is IZBZQUCCHIGVOP-KMOPYBJPSA-N. The full InChI is InChI=1S/C11H11NO3/c1-4-5-6-9-7(2)12(8(3)13)11(15)10(9)14/h4-6H,2H2,1,3H3/b5-4-,9-6+.
What are the key properties of (4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione?
(4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione has a molecular weight of 205.21 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-acetyl-4-[(Z)-but-2-enylidene]-5-methylidenepyrrolidine-2,3-dione is sourced from PubChem (CID 89186760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).