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1-(2-Methylprop-2-enyl)-5-oxopyrrolidine-2-carboxylic acid (HCID 62876349)|Huagongshe
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Compound
1-(2-Methylprop-2-enyl)-5-oxopyrrolidine-2-carboxylic acid
HCID
62876349
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Properties
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Basic information
Standard SMILES
C=C(C)CN1C(=O)CCC1C(=O)O
InChIKey
NSAHYOCVIUTUDA-UHFFFAOYSA-N
Molecular formula
C9H13NO3
Average molar mass
183.2 g/mol
Names & identifiers
Preferred name
1-(2-Methylprop-2-enyl)-5-oxopyrrolidine-2-carboxylic acid
IUPAC
1-(2-methylprop-2-enyl)-5-oxopyrrolidine-2-carboxylic acid
Names & synonyms
SCHEMBL2583832
AKOS012172501
Database identifiers
PubChem CID
62876349
Properties
Computed structural properties
XLogP
0.7
Topological polar surface area
57.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
260
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Related reactions
1 records
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As solvent
HRID
287354
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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