2-(4-Morpholinylmethyl)quinuclidin-3-one
Basic information
- CAS
41971-48-6- Standard SMILES
O=C1C2CCN(CC2)C1CN1CCOCC1- InChIKey
IICSZVOVTPCORP-UHFFFAOYSA-N- Molecular formula
- C12H20N2O2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.15247789
Names & identifiers
- Preferred name
- 2-(4-Morpholinylmethyl)quinuclidin-3-one
- IUPAC
- 2-(morpholin-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one
Names & synonyms
2-(4-Morpholinylmethyl)quinuclidin-3-one41971-48-6NSC150094NSC 150094CHEMBL1991511SCHEMBL132387532-(morpholinomethyl)quinuclidin-3-oneNSC-150094NCI60_0010401-Azabicyclo[2.2.2]octan-3-one, 2-(4-morpholinylmethyl)-
Database identifiers
- CAS
41971-48-6- PubChem CID
- 288759
- ChEMBL
CHEMBL1991511
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
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Compound notes
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