Basic information
- Standard SMILES
CN1CCC2(C)c3cc(C(=O)C(=O)O)ccc3N(C)C12- InChIKey
DZOVKFKIEXWGBE-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
Names & identifiers
- Preferred name
- 1,2,3,3a,8,8a-Hexahydro-alpha-oxo-1,3a,8-trimethyl-5-pyrrolo[2,3-b]indole acetic acid
- IUPAC
- 2-(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl)-2-oxoacetic acid
Names & synonyms
SCHEMBL9028936DZOVKFKIEXWGBE-UHFFFAOYSA-N1,2,3,3a,8,8a-hexahydro-alpha-oxo-1,3a,8-trimethyl-5-pyrrolo[2,3-b]indole acetic acid
Database identifiers
- PubChem CID
- 19782563
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 452
Related reactions
2 records
Compound notes
Loading…