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

HCID 67348985
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC(=O)C1(C)CCN(c2ccc(F)cc2)C1=O
InChIKey
VUOWZVMONMPCNT-UHFFFAOYSA-N
Molecular formula
C13H14FNO3
Average molar mass
251.25 g/mol

Names & identifiers

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

Names & synonyms

methyl 1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidine-3-carboxylate946505-21-1SCHEMBL2286375VUOWZVMONMPCNT-UHFFFAOYSA-NDA-40226

Database identifiers

PubChem CID
67348985

Properties

Computed structural propertiesFilling in

XLogP
1.9
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
352

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Related reactions

4 records
New reaction record
HRID 667019 reaction equation
HRID 667019As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 808605 reaction equation
HRID 808605As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1676320 reaction equation
HRID 1676320As productuspto-grants-2011_08
HRID 1676321 reaction equation
HRID 1676321As reactantuspto-grants-2011_08

Compound notes

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