Basic information
- CAS
870122-78-4- Standard SMILES
O=C(CC(c1ccccc1)c1ccc[nH]1)c1ccccc1- InChIKey
LPLLHFVUCANPQW-UHFFFAOYSA-N- Molecular formula
- C19H17NO
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.13101417
Names & identifiers
- Preferred name
- 1,3-Diphenyl-3-(1H-pyrrol-2-yl)propan-1-one
- IUPAC
- 1,3-diphenyl-3-(1H-pyrrol-2-yl)propan-1-one
Names & synonyms
1,3-Diphenyl-3-(1H-pyrrol-2-yl)propan-1-one870122-78-4DTXSID00833057RefChem:219083DTXCID90783799
Database identifiers
- CAS
870122-78-4- PubChem CID
- 71413541
- DTXSID
DTXSID00833057- Nikkaji
- J2.362.433H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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