Bicyclo[2.2.2]oct-2-ene-2-carbonitrile
Basic information
- CAS
14948-74-4- Standard SMILES
N#CC1=CC2CCC1CC2- InChIKey
ZTMRDYCYTDGUEY-UHFFFAOYSA-N- Molecular formula
- C9H11N
- Average molar mass
- 133.19 g/mol
- Monoisotopic mass
- 133.08914936
Names & identifiers
- Preferred name
- Bicyclo[2.2.2]oct-2-ene-2-carbonitrile
- IUPAC
- bicyclo[2.2.2]oct-2-ene-2-carbonitrile
- English name
- Bicyclo[2.2.2]oct-2-ene-2-carbonitrile
- Molecular formula
- C9H11N
- Molecular weight
- 133.19
Names & synonyms
Bicyclo[2.2.2]oct-2-ene-2-carbonitrile14948-74-4BICYCLO(2.2.2)OCT-2-ENE-2-CARBONITRILE2-Cyanatobicyclo(2.2.2)oct-2-eneNSC 92998BRN 3088557T1070AAJ04NSC-92998UNII-T1070AAJ04DTXSID301642802-Cyanatobicyclo[2.2.2]oct-2-eneRefChem:119698
Show more names
DTXCID4086771NSC92998NCIOpen2_001351SCHEMBL2518530
Database identifiers
- CAS
14948-74-4- PubChem CID
- 26982
- DTXSID
DTXSID30164280- UNII
- T1070AAJ04
- Nikkaji
- J41.834J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Boiling point
- 236.9 · 236.9±7.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- FDA UNII
- 1070 AAJ04 · T1070AAJ04
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Compound notes
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