3-Oxo-8-azabicyclo[3.2.1]octane-8-carbonitrile
Basic information
- CAS
90006-89-6- Standard SMILES
N#CN1C2CCC1CC(=O)C2- InChIKey
ABNFNHUEWPDNCU-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931295
Names & identifiers
- Preferred name
- 3-Oxo-8-azabicyclo[3.2.1]octane-8-carbonitrile
- IUPAC
- 3-oxo-8-azabicyclo[3.2.1]octane-8-carbonitrile
- English name
- 8-Nortropanecarbonitrile,3-oxo-(7CI)
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.1778
Names & synonyms
3-oxo-8-azabicyclo[3.2.1]octane-8-carbonitrile90006-89-6MFCD24693734NSC6739198-Cyano-8-azabicyclo[3.2.1]octan-3-oneSCHEMBL21598144DTXSID301247842NSC-673919NCI60_026168PS-19089SY323446E88408
Show more names
8-Nortropanecarbonitrile,3-oxo-(7CI)3-oxo-8-azabicyclo[3.2.1]octane-8-carbonitrile - [X87820]
EN300-1268752CHEMBL19842598-Azabicyclo[3.2.1]octane-83-oxo-8-azabicyclo[3 2 1]octane-8-carbonitrile8-Azabicyclo[3.2.1]octane-8-carbonitrile, 3-oxo-
Database identifiers
- CAS
90006-89-6- PubChem CID
- 384304
- DTXSID
DTXSID301247842- ChEMBL
CHEMBL1984259
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 224
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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