Basic information
- CAS
92956-79-1- Standard SMILES
CC#CC(O)(C(=O)OC1CN2CCC1CC2)C1CC1- InChIKey
WKVYOZYIPLKNSX-UHFFFAOYSA-N- Molecular formula
- C15H21NO3
- Average molar mass
- 263.33 g/mol
- Monoisotopic mass
- 263.15214353
Names & identifiers
- Preferred name
- Cyclopropaneglycolic acid, alpha-(1-propynyl)-, 3-quinuclidinyl ester
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-cyclopropyl-2-hydroxypent-3-ynoate
Names & synonyms
alpha-(1-Propynyl)cyclopropaneglycolic acid 3-quinuclidinyl ester3-Quinuclidyl cyclopropyl(1-propynyl)glycolate92956-79-1CYCLOPROPANEGLYCOLIC ACID, alpha-(1-PROPYNYL)-, 3-QUINUCLIDINYL ESTERRefChem:336287NSC665753CHEMBL1995613DTXSID709188201-azabicyclo[2.2.2]octan-3-yl 2-cyclopropyl-2-hydroxypent-3-ynoateNSC-665753NCI60_022736quinuclidin-3-yl 2-cyclopropyl-2-hydroxy-pent-3-ynoate
Show more names
1-Azabicyclo[2.2.2]oct-3-yl 2-cyclopropyl-2-hydroxy-3-pentynoate
Database identifiers
- CAS
92956-79-1- PubChem CID
- 56511
- DTXSID
DTXSID70918820- ChEMBL
CHEMBL1995613- Nikkaji
- J85.270H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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