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Compound
1-[Chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine
HCID
2736653
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Names & identifiers
Properties
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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
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Related reactions
1 records
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HRID
120076
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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