Agn-PC-0jqsbm
Basic information
- CAS
4953-26-8- Standard SMILES
CC1CCN(CCOC(=O)C(c2ccccc2)C2C=CCCC2)C1- InChIKey
XILWIKWHCRBAJH-UHFFFAOYSA-N- Molecular formula
- C21H29NO2
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.21982917
Names & identifiers
- Preferred name
- Agn-PC-0jqsbm
- IUPAC
- 2-(3-methylpyrrolidin-1-yl)ethyl 2-cyclohex-2-en-1-yl-2-phenylacetate
Names & synonyms
4953-26-8AGN-PC-0JQSBMDTXSID603282122-(3-Methylpyrrolidin-1-yl)ethyl (cyclohex-2-en-1-yl)(phenyl)acetate
Database identifiers
- CAS
4953-26-8- PubChem CID
- 408083
- DTXSID
DTXSID60328212
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 428
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Related reactions
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Compound notes
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