Basic information
- Standard SMILES
CC1(C)CCn2cc(CC(=O)O)c3cccc1c32- InChIKey
WYYIMJPWOKTMAQ-UHFFFAOYSA-N- Molecular formula
- C15H17NO2
- Average molar mass
- 243.3 g/mol
Names & identifiers
- Preferred name
- (6,6-Dimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij] quinolin-1-yl)Acetic Acid
- IUPAC
- 2-(9,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl)acetic acid
Names & synonyms
SCHEMBL6335990WYYIMJPWOKTMAQ-UHFFFAOYSA-N(6,6-Dimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)acetic Acid(6,6-Dimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij] quinolin-1-yl)Acetic Acid
Database identifiers
- PubChem CID
- 22556735
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Related reactions
2 records
Compound notes
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