2a,3,4,5-Tetrahydrobenzo[cd]indol-2(1H)-one
Basic information
- CAS
96933-21-0- Standard SMILES
O=C1Nc2cccc3c2C1CCC3- InChIKey
CRJMOQUKRGIGLY-UHFFFAOYSA-N- Molecular formula
- C11H11NO
- Average molar mass
- 173.21 g/mol
Names & identifiers
- Preferred name
- 2a,3,4,5-Tetrahydrobenzo[cd]indol-2(1H)-one
- IUPAC
- 2a,3,4,5-tetrahydro-1H-benzo[cd]indol-2-one
- English name
- A-3,4,5-Tetrahydrobenz(cd)indol-(1H)-one)
- Molecular formula
- C11H11NO
- Molecular weight
- 173.21
Names & synonyms
96933-21-02a,3,4,5-Tetrahydrobenzo[cd]indol-2(1H)-one2a,3,4,5-tetrahydrobenz[cd]indol-2(1H)-one2(1H)-one, 2a,3,4,5-tetrahydro-benz[cd]indolMFCD000097472a,3,4,5-tetrahydro-1H-benzo[cd]indol-2-one2a,3,4,5-Tetrahydrobenz(cd)indol-2(1H)-oneSCHEMBL41863612-oxo-tetrahydrobenzo[cd]indoleAKOS022528946AS-53409DB-346646
Show more names
A-3,4,5-Tetrahydrobenz(cd)indol-(1H)-one)Benz[cd]indol-2(1H)-one, 2a,3,4,5-tetrahydro-(RS)-2a,3,4,5-tetrahydro-1H-benz[cd]indol-2-one2a,3,4,5-Tetrahydro-1-azaacenaphthylen-2(1H)-one
CS-03650162a,3,4,5-tetrahydro-1H-benz[cd]indol-2-oneP164482a,3,4,5-tetrahydro-Benz[cd]indol-2(1H)-one2a,3,4,5-tetrahydrobenz[cd]indole-2(1H)-one2a,3,4,5-Tetrahydrobenz[cd]indole-2(1H) -one2a,3,4,5-Tetrahydrobenzo[cd]indol-2(1H)-one #F534800
Database identifiers
- CAS
96933-21-0- Nikkaji
- J236.236H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 156 · 156-158 °C(Solv: benzene (71-43-2))
- Boiling point
- 335.1 · 335.1±41.0 °C(Predicted)
- Density
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- pka
- 14.09 · 14.09±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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