Basic information
- Standard SMILES
CN(C)C1CC2=CNC=C3C=C(C(N)=O)OCC1=C32- InChIKey
SPPCAFJCXKWHJP-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
Names & identifiers
- Preferred name
- 8-Dimethylamino-2,7,8,9-tetrahydro-6-oxa-2-azabenzo[cd]azulene-5-carboxylic acid amide
- IUPAC
- 2-(dimethylamino)-11-oxa-6-azatricyclo[6.4.1.04,13]trideca-1(13),4,7,9-tetraene-10-carboxamide
Names & synonyms
SCHEMBL6304658SPPCAFJCXKWHJP-UHFFFAOYSA-N8-dimethylamino-2,7,8,9-tetrahydro-6-oxa-2-azabenzo [cd]azulene-5-carboxylic acid amide8-dimethylamino-2,7,8,9-tetrahydro-6-oxa-2-azabenzo[cd]azulene-5-carboxylic acid amide
Database identifiers
- PubChem CID
- 69736465
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 567
Related reactions
1 records
Compound notes
Loading…