Basic information
- CAS
905807-88-7- Standard SMILES
CC1=NC(c2ccccc2)C(=O)C1- InChIKey
UTZMZYOTKXTSCX-UHFFFAOYSA-N- Molecular formula
- C11H11NO
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.08406397
Names & identifiers
- Preferred name
- 2-Phenyl-5-methyl-2H-pyrrole-3(4H)-one
- IUPAC
- 5-methyl-2-phenyl-2,4-dihydropyrrol-3-one
Names & synonyms
905807-88-72-Phenyl-5-methyl-2H-pyrrole-3(4H)-one5-methyl-2-phenyl-2,4-dihydro-3H-pyrrol-3-oneDTXSID701253467AKOS0159671422,4-Dihydro-5-methyl-2-phenyl-3H-pyrrol-3-one
Database identifiers
- CAS
905807-88-7- PubChem CID
- 3200
- DTXSID
DTXSID701253467- Nikkaji
- J1.464.639F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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