(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione

C24H22N2O6 — CID 160654115

IUPAC(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
SMILESCOc1ccc(/C=C2\CC(=O)NC2=O)cc1.COc1ccc(/C=C2\CC(=O)NC2=O)cc1
InChIInChI=1S/2C12H11NO3/c2*1-16-10-4-2-8(3-5-10)6-9-7-11(14)13-12(9)15/h2*2-6H,7H2,1H3,(H,13,14,15)/b2*9-6+
InChIKeyRKUWQRVGLOOOSL-ACOOBTJJSA-N
MW434.45 g/mol
LogP2.25
Rot. Bonds4

About (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione

(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione (PubChem CID 160654115) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
PubChem CID160654115
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
SMILESCOc1ccc(/C=C2\CC(=O)NC2=O)cc1.COc1ccc(/C=C2\CC(=O)NC2=O)cc1
InChIInChI=1S/2C12H11NO3/c2*1-16-10-4-2-8(3-5-10)6-9-7-11(14)13-12(9)15/h2*2-6H,7H2,1H3,(H,13,14,15)/b2*9-6+
InChIKeyRKUWQRVGLOOOSL-ACOOBTJJSA-N
XLogP2.25
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-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-[(3,5-dimethoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 77039937
4-[(4-methoxyphenyl)methylidene]-3-methyl-1H-pyridazin-6-one
CID 162369806
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856
3-[(4-methoxyphenyl)methylidene]-5-methylidenepiperidin-4-one
CID 174799833
(3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione
CID 71193014
(4E)-2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-3-methylcyclopent-2-en-1-one
CID 132509690
3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
CID 2882053
2-[(4-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one
CID 67064867
(5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione
CID 6447629
(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893825
4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 137221885
(3E)-1-ethyl-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-1-ium-4-one
CID 6993742

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione (CID 160654115) is (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione is COc1ccc(/C=C2\CC(=O)NC2=O)cc1.COc1ccc(/C=C2\CC(=O)NC2=O)cc1.
What is the InChIKey of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is RKUWQRVGLOOOSL-ACOOBTJJSA-N. The full InChI is InChI=1S/2C12H11NO3/c2*1-16-10-4-2-8(3-5-10)6-9-7-11(14)13-12(9)15/h2*2-6H,7H2,1H3,(H,13,14,15)/b2*9-6+.
What are the key properties of (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 434.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 160654115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).