3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione

C11H15NO2 — CID 123770449

IUPAC3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione
SMILESCCCC=CC=C1CC(=O)N(C)C1=O
InChIInChI=1S/C11H15NO2/c1-3-4-5-6-7-9-8-10(13)12(2)11(9)14/h5-7H,3-4,8H2,1-2H3
InChIKeyUFKRGAWPYCJAQB-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.66
Rot. Bonds3

About 3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione

3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione (PubChem CID 123770449) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione
PubChem CID123770449
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione
SMILESCCCC=CC=C1CC(=O)N(C)C1=O
InChIInChI=1S/C11H15NO2/c1-3-4-5-6-7-9-8-10(13)12(2)11(9)14/h5-7H,3-4,8H2,1-2H3
InChIKeyUFKRGAWPYCJAQB-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hex-2-enylidene-1-methylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione (CID 123770449) is 3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione is CCCC=CC=C1CC(=O)N(C)C1=O.
What is the InChIKey of 3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione?
The InChIKey is UFKRGAWPYCJAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-4-5-6-7-9-8-10(13)12(2)11(9)14/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione?
3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione has a molecular weight of 193.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-2-enylidene-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 123770449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).