Basic information
- CAS
331760-81-7- Standard SMILES
CC(C)(C)c1ccc2[nH]c3c(c2c1)CCCC3=O- InChIKey
KATUXDKZWCFKBJ-UHFFFAOYSA-N- Molecular formula
- C16H19NO
- Average molar mass
- 241.33 g/mol
- Monoisotopic mass
- 241.14666423
Names & identifiers
- Preferred name
- 1H-Carbazol-1-one, 6-(1,1-dimethylethyl)-2,3,4,9-tetrahydro-
- IUPAC
- 6-tert-butyl-2,3,4,9-tetrahydrocarbazol-1-one
Names & synonyms
331760-81-71H-Carbazol-1-one, 6-(1,1-dimethylethyl)-2,3,4,9-tetrahydro-DTXSID00350658RefChem:237687DTXCID403017256-tert-butyl-2,3,4,9-tetrahydro-1H-carbazol-1-one6-tert-butyl-2,3,4,9-tetrahydrocarbazol-1-oneCBMicro_027553Oprea1_051687Oprea1_607845SCHEMBL13949522STK758766
Show more names
AKOS000560144ST077191BIM-0027680.P001EU-0018473SR-01000521408SR-01000521408-1BRD-K66228817-001-01-46-(tert-butyl)-2,3,4,9-tetrahydro-1H-carbazol-1-one
Database identifiers
- CAS
331760-81-7- PubChem CID
- 685271
- DTXSID
DTXSID00350658
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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