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1-Cyclohexyl-4-hydroxymethyl-3,3-diphenyl-2-pyrrolidinone

HCID 12822288
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1N(C2CCCCC2)CC(CO)C1(c1ccccc1)c1ccccc1
InChIKey
XKWSXWREQHMFGG-UHFFFAOYSA-N
Molecular formula
C23H27NO2
Average molar mass
349.5 g/mol

Names & identifiers

Preferred name
1-Cyclohexyl-4-hydroxymethyl-3,3-diphenyl-2-pyrrolidinone
IUPAC
1-cyclohexyl-4-(hydroxymethyl)-3,3-diphenylpyrrolidin-2-one

Names & synonyms

SCHEMBL11222426XKWSXWREQHMFGG-UHFFFAOYSA-N1-Cyclohexyl-4-hydroxymethyl-3,3-diphenyl-2-pyrrolidinone

Database identifiers

PubChem CID
12822288

Properties

Computed structural properties

XLogP
4
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
26
Formal charge
0
Complexity
455

Related reactions

7 records
New reaction record
HRID 99233 reaction equation
HRID 99233As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 614273 reaction equation
HRID 614273As productuspto-grants-1979_03
HRID 614278 reaction equation
HRID 614278As reactantuspto-grants-1979_03
HRID 1112274 reaction equation
HRID 1112274As productuspto-grants-1978_10
HRID 1112279 reaction equation
HRID 1112279As reactantuspto-grants-1978_10
HRID 2285770 reaction equation
HRID 2285770As productuspto-grants-1982_04
HRID 2285775 reaction equation
HRID 2285775As reactantuspto-grants-1982_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes