Basic information
- CAS
119580-89-1- Standard SMILES
C=Cc1cc(C(C)=O)cn1C- InChIKey
FYUYGQCNLAZJJJ-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
Names & identifiers
- Preferred name
- 1-(1-Methyl-5-vinyl-1H-pyrrol-3-yl)ethanone
- IUPAC
- 1-(5-ethenyl-1-methylpyrrol-3-yl)ethanone
- English name
- Ethanone, 1-(5-ethenyl-1-methyl-1H-pyrrol-3-yl)- (9CI)
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
119580-89-11-(1-Methyl-5-vinyl-1H-pyrrol-3-yl)ethanone1-(5-ETHENYL-1-METHYLPYRROL-3-YL)ETHANONEEthanone, 1-(5-ethenyl-1-methyl-1H-pyrrol-3-yl)- (9CI)DB-287103Ethanone, 1-(5-ethenyl-1-methyl-1H-pyrrol-3-yl)-
Database identifiers
- CAS
119580-89-1
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 270.1 · 270.1±28.0 °C(Predicted)
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- pka
- -5.95 · -5.95±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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