2,8-Diphenyl-3-(1-pyrrolidinyl)-2,7-cyclooctadien-1-one
Basic information
- CAS
6386-84-1- Standard SMILES
O=C1/C(c2ccccc2)=C\CCC/C(N2CCCC2)=C\1c1ccccc1- InChIKey
YXHADMWERJSPTG-QYINSJCOSA-N- Molecular formula
- C24H25NO
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.19361442
Names & identifiers
- Preferred name
- 2,8-Diphenyl-3-(1-pyrrolidinyl)-2,7-cyclooctadien-1-one
- IUPAC
- (2E,7Z)-2,8-diphenyl-3-pyrrolidin-1-ylcycloocta-2,7-dien-1-one
Names & synonyms
DTXSID5012044022,8-Diphenyl-3-(1-pyrrolidinyl)-2,7-cyclooctadien-1-one(2E,7Z)-2,8-Diphenyl-3-(pyrrolidin-1-yl)cycloocta-2,7-dien-1-one6386-84-1
Database identifiers
- CAS
6386-84-1- PubChem CID
- 165355083
- DTXSID
DTXSID501204402
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 555
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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