Basic information
- CAS
6037-79-2- Standard SMILES
COc1cc2c(cc1OC)C(=O)NC1(CCCC1)C2- InChIKey
CXANDSJCNPCTIJ-UHFFFAOYSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.13649347
Names & identifiers
- Preferred name
- 6',7'-Dimethoxy-2'h-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'h)-one
- IUPAC
- 6,7-dimethoxyspiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-one
Names & synonyms
6',7'-dimethoxy-2'h-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'h)-one6037-79-2CBMicro_041286Oprea1_360986Oprea1_499530DTXSID209757816,7-dimethoxyspiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-oneCCG-18009STL512095AKOS000671902BIM-0041395.P001EU-0007380
Show more names
AG-690/13706501SR-01000456329SR-01000456329-16',7'-Dimethoxy-4'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-ol6',7'-dimethoxy-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinolin]-1'-one6',7'-dimethoxy-3',4'-dihydrospiro(cyclopentane-1,3'-isoquinoline)-1'(2'H)-one
Database identifiers
- CAS
6037-79-2- PubChem CID
- 765455
- DTXSID
DTXSID20975781
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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