(4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one

C10H11NO — CID 155313173

IUPAC(4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C(=C)/C1=C\C=C/C
InChIInChI=1S/C10H11NO/c1-4-5-6-9-7(2)10(12)11-8(9)3/h4-6H,2-3H2,1H3,(H,11,12)/b5-4-,9-6+
InChIKeyOCZPBZQBTBDTPS-KMOPYBJPSA-N
MW161.20 g/mol
LogP1.69
Rot. Bonds1

About (4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one

(4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one (PubChem CID 155313173) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one
PubChem CID155313173
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C(=C)/C1=C\C=C/C
InChIInChI=1S/C10H11NO/c1-4-5-6-9-7(2)10(12)11-8(9)3/h4-6H,2-3H2,1H3,(H,11,12)/b5-4-,9-6+
InChIKeyOCZPBZQBTBDTPS-KMOPYBJPSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one?
The IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one (CID 155313173) is (4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one.
What is the SMILES notation for (4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one?
The canonical SMILES for (4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one is C=C1NC(=O)C(=C)/C1=C\C=C/C.
What is the InChIKey of (4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one?
The InChIKey is OCZPBZQBTBDTPS-KMOPYBJPSA-N. The full InChI is InChI=1S/C10H11NO/c1-4-5-6-9-7(2)10(12)11-8(9)3/h4-6H,2-3H2,1H3,(H,11,12)/b5-4-,9-6+.
What are the key properties of (4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one?
(4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one has a molecular weight of 161.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-but-2-enylidene]-3,5-dimethylidenepyrrolidin-2-one is sourced from PubChem (CID 155313173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).