Basic information
- CAS
56464-05-2- Standard SMILES
CC(=O)c1c(C)[nH]c(-c2ccccc2)c1N(C)C- InChIKey
MNFJJFDADFHHQQ-UHFFFAOYSA-N- Molecular formula
- C15H18N2O
- Average molar mass
- 242.32 g/mol
- Monoisotopic mass
- 242.1419132
Names & identifiers
- Preferred name
- Ethanone, 1-(4-(dimethylamino)-2-methyl-5-phenyl-1H-pyrrol-3-yl)-
- IUPAC
- 1-[4-(dimethylamino)-2-methyl-5-phenyl-1H-pyrrol-3-yl]ethanone
- English name
- 1-[4-(Dimethylamino)-2-methyl-5-phenyl-1H-pyrrol-3-yl]ethanone
- Molecular formula
- C15H18N2O
- Molecular weight
- 242.31622
Names & synonyms
BRN 0400312ETHANONE, 1-(4-(DIMETHYLAMINO)-2-METHYL-5-PHENYL-1H-PYRROL-3-YL)-56464-05-21-(4-(Dimethylamino)-2-methyl-5-phenyl-1H-pyrrol-3-yl)ethanoneDTXSID40205017Ketone, (4-(dimethylamino)-2-methyl-5-phenylpyrrol-3-yl) methyl5-22-13-00084 (Beilstein Handbook Reference)RefChem:341179DTXCID40127508SCHEMBL11462326MNFJJFDADFHHQQ-UHFFFAOYSA-N1-[4-(dimethylamino)-2-methyl-5-phenyl-1H-pyrrol-3-yl]ethan-1-one
Show more names
1-[4-(Dimethylamino)-2-methyl-5-phenyl-1H-pyrrol-3-yl]ethanone
4-Acetyl-3-dimethylamino-5-methyl-2-phenylpyrrole
Database identifiers
- CAS
56464-05-2- PubChem CID
- 41889
- DTXSID
DTXSID40205017
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 385.14 °C · 385.14°C (rough estimate)
- Density
- 1.0388 · 1.0388 (rough estimate)
- refractive index
- 1.628 · 1.6280 (estimate)
Related reactions
5 records
Compound notes
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