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7-(2-Chlorophenyl)-1,7-diazaspiro[4.4]nonan-6-one

HCID 58948331
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1N(c2ccccc2Cl)CCC12CCCN2
InChIKey
CCFQDWIXGYNESW-UHFFFAOYSA-N
Molecular formula
C13H15ClN2O
Average molar mass
250.72 g/mol

Names & identifiers

Preferred name
7-(2-Chlorophenyl)-1,7-diazaspiro[4.4]nonan-6-one
IUPAC
7-(2-chlorophenyl)-1,7-diazaspiro[4.4]nonan-6-one

Names & synonyms

SCHEMBL2302148CCFQDWIXGYNESW-UHFFFAOYSA-N7-(2-chlorophenyl)-1,7-diazaspiro[4.4]nonan-6-one

Database identifiers

PubChem CID
58948331

Properties

Computed structural properties

XLogP
2
Topological polar surface area
32.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
323

Related reactions

6 records
New reaction record
HRID 814377 reaction equation
HRID 814377As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 941582 reaction equation
HRID 941582As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1226255 reaction equation
HRID 1226255As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1672377 reaction equation
HRID 1672377As productuspto-grants-2011_08
HRID 1672378 reaction equation
HRID 1672378As reactantuspto-grants-2011_08
HRID 1672379 reaction equation
HRID 1672379As reactantuspto-grants-2011_08

Compound notes

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