Basic information
- CAS
1500-91-0- Standard SMILES
CCc1c(C)[nH]c(C(C)=O)c1C- InChIKey
SUAXMKRXTCGJJD-UHFFFAOYSA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Names & identifiers
- Preferred name
- 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
- IUPAC
- 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
- English name
- Ethanone, 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)- (9CI)
- Molecular formula
- C10H15NO
- Molecular weight
- 165.2322
Names & synonyms
1500-91-01-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanoneKETONE, 4-ETHYL-3,5-DIMETHYLPYRROL-2-YL METHYLDTXSID90164448RefChem:1054356DTXCID4086939750511-61-6Ethanone, 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)- (9CI)1-(4-Ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)ethanolBRN 01234422-Acetyl-3,5-dimethyl-4-ethyl-pyrrole4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone
Show more names
Methyl(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl) ketone
5-21-07-00264 (Beilstein Handbook Reference)1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethan-1-oneSCHEMBL285126144-ethyl-3,5-dimethylpyrrole-2-carbaldehydeDB-286795DB-287075Ethanone, 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-ETHANOL, 1-(4-ETHYL-3,5-DIMETHYL-2H-PYRROL-2-YLIDENE)-
Database identifiers
- CAS
1500-91-0- PubChem CID
- 15162
- DTXSID
DTXSID90164448- Nikkaji
- J94.675C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 293.09 °C · 293.09°C (rough estimate)
- Density
- 1.0203 · 1.0203 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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