7,8-Dimethoxy-2a,3,4,5-tetrahydro-2H-3-aza-acenaphthylen-1-one

HCID 57729064
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc2c3c(c1OC)C(=O)CC3NCC2
InChIKey
QRDHCNQBSDMZET-UHFFFAOYSA-N
Molecular formula
C13H15NO3
Average molar mass
233.26 g/mol
Monoisotopic mass
233.10519334

Names & identifiers

Preferred name
7,8-Dimethoxy-2a,3,4,5-tetrahydro-2H-3-aza-acenaphthylen-1-one
IUPAC
10,11-dimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-2-one

Names & synonyms

SCHEMBL2307817QRDHCNQBSDMZET-UHFFFAOYSA-N7,8-Dimethoxy-2a,3,4,5-tetrahydro-2H-3-aza-acenaphthylen-1-one

Database identifiers

PubChem CID
57729064

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
47.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17

Related reactions

2 records
New reaction record

Linked notes

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7,8-Dimethoxy-2a,3,4,5-tetrahydro-2H-3-aza-acenaphthylen-1-one (HCID 57729064)｜Huagongshe