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Methyl 1-propylpyrrolidine-2-carboxylate (HCID 14969012)|Huagongshe
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Compound
Methyl 1-propylpyrrolidine-2-carboxylate
HCID
14969012
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CCCN1CCCC1C(=O)OC
InChIKey
FVBCRZVXOZFXND-UHFFFAOYSA-N
Molecular formula
C9H17NO2
Average molar mass
171.24 g/mol
Names & identifiers
Preferred name
Methyl 1-propylpyrrolidine-2-carboxylate
IUPAC
methyl 1-propylpyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL10182480
AKOS011302603
Database identifiers
PubChem CID
14969012
Nikkaji
J568.701B
Properties
Computed structural properties
XLogP
1.6
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
12
Formal charge
0
Complexity
159
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Related reactions
1 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
100172
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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