methyl (3-oxo-2,3,4,5-tetrahydro-1-H-2-benzazepin-4-yl)carbamate

HCID 57722312
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Basic information

Standard SMILES
COC(=O)NC1Cc2ccccc2CNC1=O
InChIKey
LPDJBKBDHSKXNT-UHFFFAOYSA-N
Molecular formula
C12H14N2O3
Average molar mass
234.25 g/mol

Names & identifiers

Preferred name
methyl (3-oxo-2,3,4,5-tetrahydro-1-H-2-benzazepin-4-yl)carbamate
IUPAC
methyl N-(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)carbamate

Names & synonyms

SCHEMBL13818351LPDJBKBDHSKXNT-UHFFFAOYSA-Nmethyl (3-oxo-2,3,4,5-tetrahydro-1-H-2-benzazepin-4-yl)carbamate

Database identifiers

PubChem CID
57722312

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
67.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Related reactions

1 records
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Compound notes

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