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3-Amino-1-prop-2-ynylpyrrolidin-2-one (HCID 18176414)|Huagongshe
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Compound
3-Amino-1-prop-2-ynylpyrrolidin-2-one
HCID
18176414
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
C#CCN1CCC(N)C1=O
InChIKey
GTVRGQBZGILQON-UHFFFAOYSA-N
Molecular formula
C7H10N2O
Average molar mass
138.17 g/mol
Names & identifiers
Preferred name
3-Amino-1-prop-2-ynylpyrrolidin-2-one
IUPAC
3-amino-1-prop-2-ynylpyrrolidin-2-one
Names & synonyms
AKOS010814258
Database identifiers
PubChem CID
18176414
Properties
Computed structural properties
XLogP
-0.9
Topological polar surface area
46.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
191
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
678249
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
810798
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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