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4-(Pyrrolidino) tricyanovinylbenzene

HCID 54519631
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
N#CC(C#N)=C(C#N)c1ccc(N2CCCC2)cc1
InChIKey
YOVZVSLHVKCHOV-UHFFFAOYSA-N
Molecular formula
C15H12N4
Average molar mass
248.28 g/mol

Names & identifiers

Preferred name
4-(Pyrrolidino) tricyanovinylbenzene
IUPAC
2-(4-pyrrolidin-1-ylphenyl)ethene-1,1,2-tricarbonitrile

Names & synonyms

SCHEMBL8992111YOVZVSLHVKCHOV-UHFFFAOYSA-N4-(pyrrolidino) tricyanovinylbenzene

Database identifiers

PubChem CID
54519631
Nikkaji
J1.744.124H

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
74.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
486

Related reactions

2 records
New reaction record
HRID 183800 reaction equation
HRID 183800As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 439588 reaction equation
HRID 439588As productuspto-grants-1996_05

Compound notes

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