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1-[Chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine

HCID 2736653
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
ClC(N1CCCC1)=[N+]1CCCC1
InChIKey
GICWMYXNJAKKHK-UHFFFAOYSA-N
Molecular formula
C9H16ClN2+
Average molar mass
187.69 g/mol

Names & identifiers

Preferred name
1-[Chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine
IUPAC
1-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine

Names & synonyms

SCHEMBL4684052

Database identifiers

PubChem CID
2736653
Nikkaji
J530.910G

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
6.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
12
Formal charge
1
Complexity
166

Related reactions

1 records
New reaction record
HRID 120076 reaction equation
HRID 120076As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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