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Compound
3-Amino-1,5-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-one
HCID
22288258
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CN1CC(N)C(=O)N(C)c2ccccc21
InChIKey
VYACWZUVIHCHFF-UHFFFAOYSA-N
Molecular formula
C11H15N3O
Average molar mass
205.26 g/mol
Monoisotopic mass
205.12151211
Names & identifiers
Preferred name
3-Amino-1,5-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-one
IUPAC
3-amino-1,5-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-one
Names & synonyms
SCHEMBL4424739
SCHEMBL4701870
Database identifiers
PubChem CID
22288258
Properties
Computed structural properties
XLogP
0.3
Topological polar surface area
49.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
15
Formal charge
0
Complexity
256
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
111462
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
1235286
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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