tert-Butyl Hexahydro-4-methyl-3-oxo-1H-1,4-diazepine-1-carboxylate

HCID 21962086
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CCCN(C(=O)OC(C)(C)C)CC1=O
InChIKey
XVBDJSFYKRAAEW-UHFFFAOYSA-N
Molecular formula
C11H20N2O3
Average molar mass
228.29 g/mol

Names & identifiers

Preferred name
tert-Butyl Hexahydro-4-methyl-3-oxo-1H-1,4-diazepine-1-carboxylate
IUPAC
tert-butyl 4-methyl-3-oxo-1,4-diazepane-1-carboxylate

Names & synonyms

SCHEMBL5041300XVBDJSFYKRAAEW-UHFFFAOYSA-NDB-097151tert-Butyl Hexahydro-4-methyl-3-oxo-1H-1,4-diazepine-1-carboxylate1391743-75-1

Database identifiers

PubChem CID
21962086

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
49.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16

Related reactions

2 records
New reaction record

Compound notes

Loading…