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

C20H17NO4 — CID 2882053

IUPAC3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
SMILESCOc1ccc(C=C2NC(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C20H17NO4/c1-24-15-7-3-13(4-8-15)11-17-19(22)18(21-20(17)23)12-14-5-9-16(25-2)10-6-14/h3-12H,1-2H3,(H,21,23)
InChIKeyVWHVWFUVLNGQOE-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.83
Rot. Bonds4

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

3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione (PubChem CID 2882053) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
PubChem CID2882053
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione
SMILESCOc1ccc(C=C2NC(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C20H17NO4/c1-24-15-7-3-13(4-8-15)11-17-19(22)18(21-20(17)23)12-14-5-9-16(25-2)10-6-14/h3-12H,1-2H3,(H,21,23)
InChIKeyVWHVWFUVLNGQOE-UHFFFAOYSA-N
XLogP2.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-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

(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(5E)-5-[(4-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 2054849
(6R)-3-[(4-methoxyphenyl)methylidene]-6-methylpiperazine-2,5-dione
CID 905014
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
4-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-5-one
CID 131888638
5,7-dibromo-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 57117105
(5Z)-3-butanoyl-4-hydroxy-5-[(4-methoxyphenyl)methylidene]pyrrol-2-one
CID 54704540
1-butyl-5-[(4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 153319176
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 160654115
(5E)-5-[(4-methoxyphenyl)methylidene]-1,3-selenazolidine-2,4-dione
CID 6447629
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126255528
4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 137221885

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione?
The IUPAC name of 3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione (CID 2882053) is 3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione.
What is the SMILES notation for 3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione?
The canonical SMILES for 3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione is COc1ccc(C=C2NC(=O)C(=Cc3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of 3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione?
The InChIKey is VWHVWFUVLNGQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-24-15-7-3-13(4-8-15)11-17-19(22)18(21-20(17)23)12-14-5-9-16(25-2)10-6-14/h3-12H,1-2H3,(H,21,23).
What are the key properties of 3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione?
3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione has a molecular weight of 335.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(4-methoxyphenyl)methylidene]pyrrolidine-2,4-dione is sourced from PubChem (CID 2882053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).