1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone
Basic information
- CAS
114720-29-5- Standard SMILES
CC(=O)c1cc(C)n(CCO)c1C- InChIKey
FCQRZPCZFIFSJI-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Names & identifiers
- Preferred name
- 1-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone
- IUPAC
- 1-[1-(2-hydroxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone
Names & synonyms
114720-29-51-(1-(2-Hydroxyethyl)-2,5-dimethylpyrrol-3-yl)ethanone1-(1-(2-Hydroxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanoneDTXSID901508411-[1-(2-hydroxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-oneAKOS004122830
Database identifiers
- CAS
114720-29-5- PubChem CID
- 189229
- DTXSID
DTXSID90150841
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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