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1-(3-(Pyrrolidine-1-carbonyl)phenyl)ethanone

HCID 68922005
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(=O)c1cccc(C(=O)N2CCCC2)c1
InChIKey
JJHHOGFLASISSD-UHFFFAOYSA-N
Molecular formula
C13H15NO2
Average molar mass
217.26 g/mol

Names & identifiers

Preferred name
1-(3-(Pyrrolidine-1-carbonyl)phenyl)ethanone
IUPAC
1-[3-(pyrrolidine-1-carbonyl)phenyl]ethanone

Names & synonyms

1-(3-(Pyrrolidine-1-carbonyl)phenyl)ethanone841296-85-3SCHEMBL4124827JJHHOGFLASISSD-UHFFFAOYSA-N1-[3-(Pyrrolidine-1-carbonyl)-phenyl]-ethanoneA1-18860

Database identifiers

PubChem CID
68922005

Properties

Computed structural propertiesFilling in

XLogP
2
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
282

Related reactions

2 records
New reaction record
HRID 1125957 reaction equation
HRID 1125957As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1788432 reaction equation
HRID 1788432As productuspto-grants-2009_03

Compound notes

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