Basic information
- CAS
56463-70-8- Standard SMILES
CC(=O)c1c(C)[nH]c(-c2cccc(C)c2)c1N- InChIKey
ZXSFNRUVYVQVDB-UHFFFAOYSA-N- Molecular formula
- C14H16N2O
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.12626314
Names & identifiers
- Preferred name
- Ethanone, 1-(4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-YL)-
- IUPAC
- 1-[4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]ethanone
- English name
- 1-[4-Amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]ethanone
- Molecular formula
- C14H16N2O
- Molecular weight
- 228.29
Names & synonyms
56463-70-8ETHANONE, 1-(4-AMINO-2-METHYL-5-(3-METHYLPHENYL)-1H-PYRROL-3-YL)-BRN 0477626Ketone, (4-amino-2-methyl-5-(m-tolyl)pyrrol-3-yl) methyl1-(4-Amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl)ethanoneSCHEMBL11461492DTXSID60205014ZXSFNRUVYVQVDB-UHFFFAOYSA-N1-[4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]ethan-1-oneDB-2912594-Acetyl-3-amino-5-methyl-2-(m-tolyl)pyrrole4-Acetyl-3-amino-5-methyl-2-(m-tolyl)-pyrrole
Show more names
1-[4-Amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]ethanoneEthanone, 1-[4-amino-2-methyl-5-(3-methylphenyl)-1H-pyrrol-3-yl]-
1-[4-Amino-2-methyl-5-(3-methylphenyl)-1h-pyrrol-3-yl ]ethanone
Database identifiers
- CAS
56463-70-8
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 370.1 °C · 370.1°C (rough estimate)
- Density
- 1.0604 · 1.0604 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
Related reactions
5 records
Compound notes
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