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N-(2,2-dimethyl-8-oxo-3-oxa-1-azabicyclo[4.2.0]octan-7-yl)formamide (HCID 20220105)|Huagongshe
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Compound
N-(2,2-dimethyl-8-oxo-3-oxa-1-azabicyclo[4.2.0]octan-7-yl)formamide
HCID
20220105
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC1(C)OCCC2C(NC=O)C(=O)N21
InChIKey
MTKSGAJTPSYADE-UHFFFAOYSA-N
Molecular formula
C9H14N2O3
Average molar mass
198.22 g/mol
Names & identifiers
Preferred name
N-(2,2-dimethyl-8-oxo-3-oxa-1-azabicyclo[4.2.0]octan-7-yl)formamide
IUPAC
N-(2,2-dimethyl-8-oxo-3-oxa-1-azabicyclo[4.2.0]octan-7-yl)formamide
Database identifiers
PubChem CID
20220105
Properties
Computed structural properties
XLogP
-0.3
Topological polar surface area
58.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
277
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
1150526
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
2155528
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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