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Methyl 1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylate

HCID 67347273
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C1CCN(c2ccc(F)cc2)C1=O
InChIKey
LBKMEHOZNBOPSW-UHFFFAOYSA-N
Molecular formula
C12H12FNO3
Average molar mass
237.23 g/mol

Names & identifiers

Preferred name
Methyl 1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylate
IUPAC
methyl 1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylate

Names & synonyms

methyl 1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylate946505-20-0SCHEMBL2282600LBKMEHOZNBOPSW-UHFFFAOYSA-NDA-40227

Database identifiers

PubChem CID
67347273

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
313

Related reactions

4 records
New reaction record
HRID 808605 reaction equation
HRID 808605As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1135651 reaction equation
HRID 1135651As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1676319 reaction equation
HRID 1676319As productuspto-grants-2011_08
HRID 1676320 reaction equation
HRID 1676320As reactantuspto-grants-2011_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes