Basic information
- CAS
56464-19-8- Standard SMILES
CC(=O)c1c(N)c(-c2ccccc2)n(C)c1C- InChIKey
OECCKFYMDPOMDS-UHFFFAOYSA-N- Molecular formula
- C14H16N2O
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.12626314
Names & identifiers
- Preferred name
- Ethanone, 1-(4-amino-1,2-dimethyl-5-phenyl-1H-pyrrol-3-YL)-
- IUPAC
- 1-(4-amino-1,2-dimethyl-5-phenylpyrrol-3-yl)ethanone
Names & synonyms
ETHANONE, 1-(4-AMINO-1,2-DIMETHYL-5-PHENYL-1H-PYRROL-3-YL)-56464-19-8BRN 04054341-(4-Amino-1,2-dimethyl-5-phenyl-1H-pyrrol-3-yl)ethanone4-Amino-1,2-dimethyl-5-phenylpyrrol-3-ylethanoneKetone, (4-amino-1,2-dimethyl-5-phenylpyrrol-3-yl) methylSCHEMBL11451777DTXSID002050181-(4-amino-1,2-dimethyl-5-phenyl-1H-pyrrol-3-yl)ethan-1-one
Database identifiers
- CAS
56464-19-8- PubChem CID
- 41890
- DTXSID
DTXSID00205018- Nikkaji
- J61.511K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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