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8-(3-Methylbutan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine

HCID 68430337
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)C(C)Oc1ccc2c(n1)OCCNC2
InChIKey
YCRKNJYYJWFTTP-UHFFFAOYSA-N
Molecular formula
C13H20N2O2
Average molar mass
236.31 g/mol

Names & identifiers

Preferred name
8-(3-Methylbutan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine
IUPAC
8-(3-methylbutan-2-yloxy)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine

Database identifiers

PubChem CID
68430337

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
43.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
235

Related reactions

1 records
New reaction record
HRID 2313935 reaction equation
HRID 2313935As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes