Basic information
- CAS
56463-62-8- Standard SMILES
COc1ccc(-c2[nH]c(C)c(C(C)=O)c2N)cc1- InChIKey
XUGRXPRIBPIHJJ-UHFFFAOYSA-N- Molecular formula
- C14H16N2O2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.12117776
Names & identifiers
- Preferred name
- Ethanone, 1-(4-amino-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)-
- IUPAC
- 1-[4-amino-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- English name
- 1-[4-Amino-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- Molecular formula
- C14H16N2O2
- Molecular weight
- 244.29
Names & synonyms
BRN 047961456463-62-8ETHANONE, 1-(4-AMINO-5-(4-METHOXYPHENYL)-2-METHYL-1H-PYRROL-3-YL)-DTXSID802050111-(4-Amino-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl)ethanoneKetone, (4-amino-5-(p-methoxyphenyl)-2-methylpyrrol-3-yl) methyl5-22-13-00471 (Beilstein Handbook Reference)RefChem:341201DTXCID80127502SCHEMBL114525031-[4-amino-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-oneDB-291264
Show more names
1-[4-Amino-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanoneEthanone, 1-[4-amino-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]-
1-[4-Amino-5-(4-methoxyphenyl)-2-methyl-1h-pyrrol-3-yl ]ethanone
Database identifiers
- CAS
56463-62-8- PubChem CID
- 41884
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 387.21 °C · 387.21°C (rough estimate)
- Density
- 1.1079 · 1.1079 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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