1-(1,2-dimethyl-1H-indol-3-yl)ethanone
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Basic information
- CAS
33022-90-1- Standard SMILES
CC(=O)c1c(C)n(C)c2ccccc12- InChIKey
RTIDNJAWGADXJK-UHFFFAOYSA-N- Molecular formula
- C12H13NO
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.09971404
Names & identifiers
- Preferred name
- 1-(1,2-dimethyl-1H-indol-3-yl)ethanone
- IUPAC
- 1-(1,2-dimethylindol-3-yl)ethanone
- English name
- 1-(1,2-dimethyl-1H-indol-3-yl)ethanone(SALTDATA: 0.12NaCl)
- Molecular formula
- C12H13NO
- Molecular weight
- 187.24
Names & synonyms
1-(1,2-dimethyl-1H-indol-3-yl)ethanone33022-90-11-(1,2-dimethylindol-3-yl)ethanone3-acetyl-1,2-dimethylindole1-(1,2-dimethyl-1H-indol-3-yl)ethan-1-oneMFCD00834233Ethanone, 1-(1,2-dimethyl-1H-indol-3-yl)-NSC143236SCHEMBL3483034SCHEMBL3483549SCHEMBL7278316DTXSID50301418
Show more names
1-(1,2-dimethyl-3-indolyl)ethanone1-(1,2-dimethyl-1H-indol-3-yl)ethanone(SALTDATA: 0.12NaCl)
RTIDNJAWGADXJK-UHFFFAOYSA-NALBB-014498STL372633AKOS000430567NSC-143236BS-37869FD123636CS-0316173
Database identifiers
- CAS
33022-90-1- PubChem CID
- 285755
- DTXSID
DTXSID50301418- Nikkaji
- J1.522.755I
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
LogP2.03
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
2 records
Compound notes
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