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1-(1-Phenyl-cyclohexyl)-pyrrolidin-2-one (HCID 59299447)|Huagongshe
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Compound
1-(1-Phenyl-cyclohexyl)-pyrrolidin-2-one
HCID
59299447
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
O=C1CCCN1C1(c2ccccc2)CCCCC1
InChIKey
BEKRRAXSKCVICD-UHFFFAOYSA-N
Molecular formula
C16H21NO
Average molar mass
243.34 g/mol
Monoisotopic mass
243.16231429
Names & identifiers
Preferred name
1-(1-Phenyl-cyclohexyl)-pyrrolidin-2-one
IUPAC
1-(1-phenylcyclohexyl)pyrrolidin-2-one
Names & synonyms
SCHEMBL2994152
BEKRRAXSKCVICD-UHFFFAOYSA-N
1-(1-Phenyl-cyclohexyl)-pyrrolidin-2-one
Database identifiers
PubChem CID
59299447
Properties
Computed structural properties
XLogP
2.9
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
300
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
292097
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
2235201
As product
uspto-grants-2010_05
Compound notes
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