(4-methoxyphenyl)(1-methyl-1H-pyrrol-2-yl)Methanone
Basic information
- CAS
35421-09-1- Standard SMILES
COc1ccc(C(=O)c2cccn2C)cc1- InChIKey
HXAHJRYQBVRSCJ-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- (4-methoxyphenyl)(1-methyl-1H-pyrrol-2-yl)Methanone
- IUPAC
- (4-methoxyphenyl)-(1-methylpyrrol-2-yl)methanone
Names & synonyms
35421-09-1(4-methoxyphenyl)(1-methyl-1H-pyrrol-2-yl)Methanone2-(4-Methoxybenzoyl)-1-methyl-1H-pyrroleSCHEMBL6957332HXAHJRYQBVRSCJ-UHFFFAOYSA-NDTXSID001225390KBA42109AKOS000525928DA-31929SR-01000312943SR-01000312943-1(4-Methoxyphenyl)(1-methyl-1H-pyrrol-2-yl)-methanone
Database identifiers
- CAS
35421-09-1- PubChem CID
- 774541
- DTXSID
DTXSID001225390- Nikkaji
- J2.904.805C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Related reactions
4 records
Compound notes
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