HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

3-(1,2,3,4-Tetrahydro-1-quinolinyl)-2-cyclohexen-1-one

HCID 19825089
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1C=C(N2CCCc3ccccc32)CCC1
InChIKey
KGWSCBJBDKUZQS-UHFFFAOYSA-N
Molecular formula
C15H17NO
Average molar mass
227.3 g/mol

Names & identifiers

Preferred name
3-(1,2,3,4-Tetrahydro-1-quinolinyl)-2-cyclohexen-1-one
IUPAC
3-(3,4-dihydro-2H-quinolin-1-yl)cyclohex-2-en-1-one

Names & synonyms

SCHEMBL7329995KGWSCBJBDKUZQS-UHFFFAOYSA-N3-(1,2,3,4-Tetrahydro-1-quinolinyl)-2-cyclohexen-1-one

Database identifiers

PubChem CID
19825089

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
334

Related reactions

3 records
New reaction record
HRID 93218 reaction equation
HRID 93218As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 727795 reaction equation
HRID 727795As productuspto-grants-1991_09
HRID 727796 reaction equation
HRID 727796As reactantuspto-grants-1991_09

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes