1-(2-Chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile

HCID 71439599
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Basic information

Standard SMILES
C#CC1CCC(C#N)N1C(=O)CCl
InChIKey
OSBIHDNHTGLZIU-UHFFFAOYSA-N
Molecular formula
C9H9ClN2O
Average molar mass
196.63 g/mol

Names & identifiers

Preferred name
1-(2-Chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile
IUPAC
1-(2-chloroacetyl)-5-ethynylpyrrolidine-2-carbonitrile

Names & synonyms

SCHEMBL4705887

Database identifiers

PubChem CID
71439599

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13

Related reactions

20 records
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Linked notes

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