Basic information
- CAS
63834-36-6- Standard SMILES
CCC(=O)C(CCCN1CCCC1)(c1ccccc1)c1ccccc1- InChIKey
KMNOADCGBSOLGM-UHFFFAOYSA-N- Molecular formula
- C23H29NO
- Average molar mass
- 335.5 g/mol
- Monoisotopic mass
- 335.22491455
Names & identifiers
- Preferred name
- 3-Heptanone, 4,4-diphenyl-7-pyrrolidinyl-
- IUPAC
- 4,4-diphenyl-7-pyrrolidin-1-ylheptan-3-one
- English name
- 4,4-Diphenyl-7-pyrrolizino-3-heptanone
- Molecular formula
- C23H29NO
- Molecular weight
- 335.48
Names & synonyms
4,4-Diphenyl-7-pyrrolidinyl-3-heptanone3-HEPTANONE, 4,4-DIPHENYL-7-PYRROLIDINYL-63834-36-6DTXSID70213281RefChem:279631DTXCID701357724,4-diphenyl-7-(pyrrolidin-1-yl)heptan-3-oneDB-2185454,4-Diphenyl-7-(1-pyrrolidinyl)-3-heptanone4,4-Diphenyl-7-pyrrolizino-3-heptanone3-Heptanone, 4,4-diphenyl-7-(1-pyrrolidinyl)-
Database identifiers
- CAS
63834-36-6- PubChem CID
- 44797
- DTXSID
DTXSID70213281- Nikkaji
- J73.662G
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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