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Compound
1-(3-Methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
HCID
19904711
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Basic information
Standard SMILES
CC(C)=CCN1C(=O)CC(=O)NC1=O
InChIKey
JPZFWUYVWFHXCU-UHFFFAOYSA-N
Molecular formula
C9H12N2O3
Average molar mass
196.2 g/mol
Names & identifiers
Preferred name
1-(3-Methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
IUPAC
1-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
SCHEMBL9190604
Database identifiers
PubChem CID
19904711
Properties
Computed structural properties
XLogP
0.6
Topological polar surface area
66.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
316
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HRID
108626
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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