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1-Cyclopropyl-4-(4-methoxy-benzyloxy)-1H-pyridin-2-one

HCID 59635807
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(COc2ccn(C3CC3)c(=O)c2)cc1
InChIKey
JWKYVCBAFTWNLR-UHFFFAOYSA-N
Molecular formula
C16H17NO3
Average molar mass
271.31 g/mol

Names & identifiers

Preferred name
1-Cyclopropyl-4-(4-methoxy-benzyloxy)-1H-pyridin-2-one
IUPAC
1-cyclopropyl-4-[(4-methoxyphenyl)methoxy]pyridin-2-one

Names & synonyms

SCHEMBL118088JWKYVCBAFTWNLR-UHFFFAOYSA-N1-Cyclopropyl-4-(4-methoxy-benzyloxy)-1H-pyridin-2-one

Database identifiers

PubChem CID
59635807

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
417

Related reactions

11 records
New reaction record
HRID 80956 reaction equation
HRID 80956As reactantuspto-grants-2014_09
HRID 114002 reaction equation
HRID 114002As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 299451 reaction equation
HRID 299451As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 406733 reaction equation
HRID 406733As reactantuspto-grants-2014_06
HRID 470522 reaction equation
HRID 470522As reactantuspto-grants-2014_01
HRID 1096430 reaction equation
HRID 1096430As reactantuspto-grants-2012_03
HRID 1187912 reaction equation
HRID 1187912As reactantuspto-grants-2014_03
HRID 1191844 reaction equation
HRID 1191844As reactantuspto-grants-2014_03
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Compound notes

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