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1-(4-Acetylaminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione

HCID 20038037
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)Nc1ccc(C23CC2C(=O)N(C)C3=O)cc1
InChIKey
IVJZOZYADRIAGT-UHFFFAOYSA-N
Molecular formula
C14H14N2O3
Average molar mass
258.27 g/mol

Names & identifiers

Preferred name
1-(4-Acetylaminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
IUPAC
N-[4-(3-methyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-1-yl)phenyl]acetamide

Names & synonyms

SCHEMBL10531992IVJZOZYADRIAGT-UHFFFAOYSA-N1-(4-Acetylaminophenyl)-3-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione

Database identifiers

PubChem CID
20038037

Properties

Computed structural properties

XLogP
0
Topological polar surface area
66.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
454

Related reactions

4 records
New reaction record
HRID 947073 reaction equation
HRID 947073As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1904794 reaction equation
HRID 1904794As productuspto-grants-1989_06
HRID 1904795 reaction equation
HRID 1904795As reactantuspto-grants-1989_06
HRID 2333517 reaction equation
HRID 2333517As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes