4-Acetyl-2-phenyl-1-pyrroline
Basic information
- Standard SMILES
CC(=O)C1CN=C(c2ccccc2)C1- InChIKey
FSDMHIHOCPMXSL-UHFFFAOYSA-N- Molecular formula
- C12H13NO
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.09971404
Names & identifiers
- Preferred name
- 4-Acetyl-2-phenyl-1-pyrroline
- IUPAC
- 1-(5-phenyl-3,4-dihydro-2H-pyrrol-3-yl)ethanone
Names & synonyms
4-ACETYL-2-PHENYL-1-PYRROLINESCHEMBL19675145DTXSID801359836
Database identifiers
- PubChem CID
- 13802412
- DTXSID
DTXSID801359836- Nikkaji
- J414.248I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
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Related reactions
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Compound notes
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