Ethanone, 1-(4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl)-
Basic information
- CAS
91480-90-9- Standard SMILES
COc1ccc(-c2[nH]c(C)c(C(C)=O)c2N)cc1OC- InChIKey
YOTCWOYQOGHXBT-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.13174244
Names & identifiers
- Preferred name
- Ethanone, 1-(4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl)-
- IUPAC
- 1-[4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- English name
- 1-[4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- Molecular formula
- C15H18N2O3
- Molecular weight
- 0
Names & synonyms
91480-90-91-(4-Amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl)ethanoneETHANONE, 1-(4-AMINO-5-(3,4-DIMETHOXYPHENYL)-2-METHYL-1H-PYRROL-3-YL)-DTXSID40238582Ketone, (4-amino-5-(3,4-dimethoxyphenyl)-2-methylpyrrol-3-yl) methylRefChem:341195DTXCID901610731-(4-Amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl)ethan-1-one1-[4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one1-[4-amino-5-(3,4-dimethoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Database identifiers
- CAS
91480-90-9- PubChem CID
- 56245
- DTXSID
DTXSID40238582- Nikkaji
- J61.510B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Boiling point
- 417.3 °C · 417.3°C (rough estimate)
- Density
- 1.123 · 1.1230 (rough estimate)
- refractive index
- 1.628 · 1.6280 (estimate)
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Compound notes
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