Basic information
- CAS
69225-88-3- Standard SMILES
CC(=O)CC1NCCc2c1[nH]c1ccccc21- InChIKey
GMCSAFFOGUXWON-UHFFFAOYSA-N- Molecular formula
- C14H16N2O
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.12626314
Names & identifiers
- Preferred name
- 1-(2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-2-propanone
- IUPAC
- 1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-2-one
Names & synonyms
69225-88-31-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propan-2-one1-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}propan-2-one1-(2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-2-propanoneDTXSID809889182-Propanone, 1-(2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)-EN300-7439264AD-266/418848171-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)acetone
Database identifiers
- CAS
69225-88-3- PubChem CID
- 155205
- DTXSID
DTXSID80988918
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 44.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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