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tert-butyl 5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate (HCID 178451623)|Huagongshe
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Compound
tert-butyl 5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
HCID
178451623
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Reactions
Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CC(C)(C)OC(=O)N1CCC2CN(c3cccnc3)CC21
InChIKey
FBHRUSULDLTTCL-UHFFFAOYSA-N
Molecular formula
C16H23N3O2
Average molar mass
289.37 g/mol
Monoisotopic mass
289.17902698
Names & identifiers
IUPAC
tert-butyl 5-pyridin-3-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
Database identifiers
PubChem CID
77227417
Properties
Computed structural properties
XLogP
2.1
Topological polar surface area
45.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
393
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
694495
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
2343870
As product
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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