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3-Amino-1,5-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-one

HCID 22288258
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

SCHEMBL4424739SCHEMBL4701870

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

Related reactions

2 records
New reaction record
HRID 111462 reaction equation
HRID 111462As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1235286 reaction equation
HRID 1235286As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes