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3-(5-Cyclopropyl-2,4-dimethyl-phenyl)-4-hydroxy-8-methoxy-1,8-diaza-spiro[4.5]dec-3-en-2-one

HCID 59614591
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CON1CCC2(CC1)NC(=O)C(c1cc(C3CC3)c(C)cc1C)=C2O
InChIKey
GWRRIIVWXIQDJD-UHFFFAOYSA-N
Molecular formula
C20H26N2O3
Average molar mass
342.4 g/mol

Names & identifiers

Preferred name
3-(5-Cyclopropyl-2,4-dimethyl-phenyl)-4-hydroxy-8-methoxy-1,8-diaza-spiro[4.5]dec-3-en-2-one
IUPAC
3-(5-cyclopropyl-2,4-dimethylphenyl)-4-hydroxy-8-methoxy-1,8-diazaspiro[4.5]dec-3-en-2-one

Names & synonyms

SCHEMBL249367GWRRIIVWXIQDJD-UHFFFAOYSA-N3-(5-cyclopropyl-2,4-dimethyl-phenyl)-4-hydroxy-8-methoxy-1,8-diaza-spiro[4.5]dec-3-en-2-one

Database identifiers

PubChem CID
59614591

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
61.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Formal charge
0
Complexity
575

Related reactions

3 records
New reaction record
HRID 827071 reaction equation
HRID 827071As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1022383 reaction equation
HRID 1022383As productuspto-grants-2014_05
HRID 1962371 reaction equation
HRID 1962371As productuspto-grants-2013_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes