Basic information
- Standard SMILES
COC(=O)C(=O)c1cn2c3c(cccc13)C(C)(C)CC2- InChIKey
SOASXCXUEVMOFQ-UHFFFAOYSA-N- Molecular formula
- C16H17NO3
- Average molar mass
- 271.31 g/mol
Names & identifiers
- Preferred name
- (6,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)oxo-acetic acid methyl ester
- IUPAC
- methyl 2-(9,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)-2-oxoacetate
Names & synonyms
SCHEMBL6332910SOASXCXUEVMOFQ-UHFFFAOYSA-N(6,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)oxo-acetic acid methyl ester(6,6-dimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)oxoacetic acid methyl ester
Database identifiers
- PubChem CID
- 69744796
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 431
Related reactions
3 records
Compound notes
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