![1-Azabicyclo[2.2.2]octan-3-one](/cid/39-926-1/1-Azabicyclo-2-2-2-octan-3-one.png "1-Azabicyclo[2.2.2]octan-3-one")
- InChI
- InChI=1S/C7H11NO/c9-7-5-8-3-1-6(7)2-4-8/h6H,1-5H2
- InChI Key
- ZKMZPXWMMSBLNO-UHFFFAOYSA-N
- Formula
- C7H11NO
- SMILES
- O=C1CN2CCC1CC2
- Molecular Weight1
- 125.17
- CAS
- 3731-38-2
- Other Names
-
- 3-Quinuclidinone
- 3-Oxoquinuclidine
- 3-Quinuclidone
- MKC-2
- Quinuclidone 3
- Quinuclidin-3-one
- NSC 168448
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 936.00 | kJ/mol | NIST |
| BasG | 905.20 | kJ/mol | NIST |
| IE | 8.20 | eV | NIST |
| log10WS | -0.15 | Crippen Calculated Property | |
| logPoct/wat | 0.281 | Crippen Calculated Property | |
| McVol | 99.320 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to 1-Azabicyclo[2.2.2]octan-3-one.
Sources
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