3-Cyanomethyl-1-(4-fluorophenyl)-pyrrolidine-2,5-dione

HCID 20033473
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CCC1CC(=O)N(c2ccc(F)cc2)C1=O
InChIKey
PJXZIYOWWZXGOH-UHFFFAOYSA-N
Molecular formula
C12H9FN2O2
Average molar mass
232.21 g/mol
Monoisotopic mass
232.0648057

Names & identifiers

Preferred name
3-Cyanomethyl-1-(4-fluorophenyl)-pyrrolidine-2,5-dione
IUPAC
2-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]acetonitrile

Names & synonyms

SCHEMBL10571244PJXZIYOWWZXGOH-UHFFFAOYSA-N3-Cyanomethyl-1-(4-fluorophenyl)-pyrrolidine-2,5-dione

Database identifiers

PubChem CID
20033473

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
61.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17

Related reactions

2 records
New reaction record

Linked notes

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