3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione

C11H8FNO2 — CID 77040216

IUPAC3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione
SMILESO=C1CC(=Cc2cccc(F)c2)C(=O)N1
InChIInChI=1S/C11H8FNO2/c12-9-3-1-2-7(5-9)4-8-6-10(14)13-11(8)15/h1-5H,6H2,(H,13,14,15)
InChIKeyOVZIBWXAECOESA-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.26
Rot. Bonds1

About 3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione

3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione (PubChem CID 77040216) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione
PubChem CID77040216
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione
SMILESO=C1CC(=Cc2cccc(F)c2)C(=O)N1
InChIInChI=1S/C11H8FNO2/c12-9-3-1-2-7(5-9)4-8-6-10(14)13-11(8)15/h1-5H,6H2,(H,13,14,15)
InChIKeyOVZIBWXAECOESA-UHFFFAOYSA-N
XLogP1.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione (CID 77040216) is 3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione is O=C1CC(=Cc2cccc(F)c2)C(=O)N1.
What is the InChIKey of 3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is OVZIBWXAECOESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c12-9-3-1-2-7(5-9)4-8-6-10(14)13-11(8)15/h1-5H,6H2,(H,13,14,15).
What are the key properties of 3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione?
3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 205.19 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 77040216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).