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

C12H10FNO3 — CID 65101370

IUPAC(3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
SMILESCOc1ccc(/C=C2\CC(=O)NC2=O)cc1F
InChIInChI=1S/C12H10FNO3/c1-17-10-3-2-7(5-9(10)13)4-8-6-11(15)14-12(8)16/h2-5H,6H2,1H3,(H,14,15,16)/b8-4+
InChIKeyUWYMNCFCYQEEOO-XBXARRHUSA-N
MW235.21 g/mol
LogP1.26
Rot. Bonds2

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

(3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione (PubChem CID 65101370) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is (3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
PubChem CID65101370
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name(3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
SMILESCOc1ccc(/C=C2\CC(=O)NC2=O)cc1F
InChIInChI=1S/C12H10FNO3/c1-17-10-3-2-7(5-9(10)13)4-8-6-11(15)14-12(8)16/h2-5H,6H2,1H3,(H,14,15,16)/b8-4+
InChIKeyUWYMNCFCYQEEOO-XBXARRHUSA-N
XLogP1.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sklb-010
CID 5373936
(5E)-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5751033
Piperlotine A
CID 773630
(2E)-3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acrylamide
CID 6295221
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]pyrrolidin-2-one
CID 15165557
(3E)-3-[[4-(2-cyclohexylethoxy)phenyl]methylidene]pyrrolidine-2,5-dione
CID 46233608
1-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 118679059
US11130748, Example 32
CID 129247043
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methylidenepyrrolidin-2-one
CID 145983472
5-(4-Methoxybenzylidene)thiazolidine-2,4-dione
CID 233112
(3E)-3-[(4-hydroxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 44627108
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 44627215

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione (CID 65101370) is (3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione is COc1ccc(/C=C2\CC(=O)NC2=O)cc1F.
What is the InChIKey of (3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is UWYMNCFCYQEEOO-XBXARRHUSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-17-10-3-2-7(5-9(10)13)4-8-6-11(15)14-12(8)16/h2-5H,6H2,1H3,(H,14,15,16)/b8-4+.
What are the key properties of (3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione?
(3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 235.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3-fluoro-4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 65101370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).