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2-(1,4-Diazabicyclo[3.2.2]non-4-yl)-fluoren-9-one

HCID 11601914
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1c2ccccc2-c2ccc(N3CCN4CCC3CC4)cc21
InChIKey
KOVCPNOLEWZVCU-UHFFFAOYSA-N
Molecular formula
C20H20N2O
Average molar mass
304.4 g/mol

Names & identifiers

Preferred name
2-(1,4-Diazabicyclo[3.2.2]non-4-yl)-fluoren-9-one
IUPAC
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)fluoren-9-one

Names & synonyms

CHEMBL1950160SCHEMBL1793080KOVCPNOLEWZVCU-UHFFFAOYSA-NBDBM503648792-(1,4-Diazabicyclo[3.2.2]non-4-yl)-fluoren-9-one

Database identifiers

PubChem CID
11601914
ChEMBL
CHEMBL1950160

Properties

Computed structural propertiesFilling in

XLogP
4.1
Topological polar surface area
23.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
23
Formal charge
0
Complexity
470

Related reactions

3 records
New reaction record
HRID 553047 reaction equation
HRID 553047As productuspto-grants-2011_05
HRID 902981 reaction equation
HRID 902981As productuspto-grants-2008_04
HRID 941204 reaction equation
HRID 941204As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes