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(+/-)-2-(3-Quinolinyl)cyclohexanone

HCID 19794569
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1CCCCC1c1cnc2ccccc2c1
InChIKey
UKTCGVBCBCFMKC-UHFFFAOYSA-N
Molecular formula
C15H15NO
Average molar mass
225.28 g/mol

Names & identifiers

Preferred name
(+/-)-2-(3-Quinolinyl)cyclohexanone
IUPAC
2-quinolin-3-ylcyclohexan-1-one

Names & synonyms

SCHEMBL9329013UKTCGVBCBCFMKC-UHFFFAOYSA-NAKOS006105795(+/-)-2-(3-quinolinyl)cyclohexanone(+/-)-2-(quinolin-3-yl)cyclohexanone

Database identifiers

PubChem CID
19794569

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
289

Related reactions

5 records
New reaction record
HRID 5909 reaction equation
HRID 5909As reactantuspto-grants-1993_09
HRID 315775 reaction equation
HRID 315775As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1570888 reaction equation
HRID 1570888As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1886375 reaction equation
HRID 1886375As reactantuspto-grants-1992_09
HRID 1886377 reaction equation
HRID 1886377As reactantuspto-grants-1992_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes