Basic information
- CAS
91480-88-5- Standard SMILES
COc1ccc(-c2[nH]c(C)c(C(C)=O)c2N)cc1C- InChIKey
FGELHULSWNUGDB-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.13682782
Names & identifiers
- Preferred name
- Ethanone, 1-(4-amino-5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl)-
- IUPAC
- 1-[4-amino-5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- English name
- 1-[4-amino-5-(4-methoxy-3-methyl-phenyl)-2-methyl-1H-pyrrol-3-yl]ethan one
- Molecular formula
- C15H18N2O2
- Molecular weight
- 0
Names & synonyms
91480-88-5ETHANONE, 1-(4-AMINO-5-(4-METHOXY-3-METHYLPHENYL)-2-METHYL-1H-PYRROL-3-YL)-Ketone, (4-amino-5-(4-methoxy-m-tolyl)-2-methylpyrrol-3-yl) methyl1-[4-amino-5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]ethanoneDTXSID202385801-(4-Amino-5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl)ethanoneRefChem:341200DTXCID701610711-[4-amino-5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one1-[4-amino-5-(4-methoxy-3-methyl-phenyl)-2-methyl-1H-pyrrol-3-yl]ethan one
Database identifiers
- CAS
91480-88-5- PubChem CID
- 56243
- DTXSID
DTXSID20238580- Nikkaji
- J61.516A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 401.57 °C · 401.57°C (rough estimate)
- Density
- 1.0823 · 1.0823 (rough estimate)
- refractive index
- 1.628 · 1.6280 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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