Basic information
- CAS
312505-10-5- Standard SMILES
CC(=O)N1CCc2[nH]c3ccccc3c2C1- InChIKey
AHJHXLBVCPEERJ-UHFFFAOYSA-N- Molecular formula
- C13H14N2O
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.11061307
Names & identifiers
- Preferred name
- 1-(3,4-Dihydro-1H-pyrido[4,3-B]indol-2(5H)-YL)ethanone
- IUPAC
- 1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
- English name
- 2-ACETYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
- Molecular formula
- C13H14N2O
- Molecular weight
- 214.26
Names & synonyms
312505-10-51-(3,4-DIHYDRO-1H-PYRIDO[4,3-B]INDOL-2(5H)-YL)ETHANONE2-ACETYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLECHEMBL15267881-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone1-(1,3,4,5-Tetrahydro-pyrido[4,3-b]indol-2-yl)-ethanone1-(1,3,4,5-Tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethan-1-oneOprea1_317492Oprea1_655588MLS000026975SCHEMBL28387618DTXSID80349464
Show more names
Ethanone, 1-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-
HMS1704N14HMS2406A18BDBM50495372EBC-14583STL519379AKOS000505944AB09145SMR000010538
Database identifiers
- CAS
312505-10-5- PubChem CID
- 648697
- DTXSID
DTXSID80349464- ChEMBL
CHEMBL1526788
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 256 · 256-257 °C
- Boiling point
- 445.5 · 445.5±45.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- pka
- 16.87 · 16.87±0.20(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
CHEMGENX—
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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