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2-Cyano-5-(naphth-1-yl)pentanenitrile

HCID 19955544
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CC(C#N)CCCc1cccc2ccccc12
InChIKey
UAPRJTNYAWRHDW-UHFFFAOYSA-N
Molecular formula
C16H14N2
Average molar mass
234.29 g/mol

Names & identifiers

Preferred name
2-Cyano-5-(naphth-1-yl)pentanenitrile
IUPAC
2-(3-naphthalen-1-ylpropyl)propanedinitrile

Names & synonyms

SCHEMBL8903464UAPRJTNYAWRHDW-UHFFFAOYSA-N2-cyano-5-(naphth-1-yl)pentanenitrile

Database identifiers

PubChem CID
19955544

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
47.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
340

Related reactions

6 records
New reaction record
HRID 440966 reaction equation
HRID 440966As productuspto-grants-1996_05
HRID 440967 reaction equation
HRID 440967As reactantuspto-grants-1996_05
HRID 1081639 reaction equation
HRID 1081639As reactantuspto-grants-1996_12
HRID 1207294 reaction equation
HRID 1207294As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1779394 reaction equation
HRID 1779394As productuspto-grants-1997_05
HRID 1779395 reaction equation
HRID 1779395As reactantuspto-grants-1997_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes