Basic information
- CAS
72928-06-4- Standard SMILES
C=C(CC#N)C1CC2CCC1C2- InChIKey
OAOBTFQDDZCFJD-UHFFFAOYSA-N- Molecular formula
- C11H15N
- Average molar mass
- 161.24 g/mol
- Monoisotopic mass
- 161.12044948
Names & identifiers
- Preferred name
- Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene-
- IUPAC
- 3-(2-bicyclo[2.2.1]heptanyl)but-3-enenitrile
- English name
- beta-methylenebicyclo[2.2.1]heptane-2-propiononitrile
- Molecular formula
- C11H15N
- Molecular weight
- 161.24
Names & synonyms
EINECS 277-048-6Bicyclo[2.2.1]heptane-2-propanenitrile, .beta.-methylene-DTXSID408883043-(Bicyclo(2.2.1)hept-2-yl)-3-butenenitrileBicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene-Bicyclo[2.2.1]heptane-2-propanenitrile, beta-methylene-RefChem:568164DTXCID60102758472928-06-4OAOBTFQDDZCFJD-UHFFFAOYSA-NNS000599903-(Bicyclo[2.2.1]heptan-2-yl)but-3-enenitrile
Show more names
β-Methylenebicyclo[2.2.1]heptane-2-propanenitrileBicyclo[2.2.1]heptane-2-propanenitrile,b-methylene-Bicyclo[2.2.1]heptane-2-propanenitrile, β-methylene-beta-methylenebicyclo[2.2.1]heptane-2-propiononitrile
beta-Methylenebicyclo(2.2.1)heptane-2-propiononitrile
Database identifiers
- CAS
72928-06-4- PubChem CID
- 175291
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- EPA Substance Registry System
- 2.2 · Bicyclo[2.2.1]heptane-2-propanenitrile, .beta.-methylene- (72928-06-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[2.2.1]heptane-2-propanenitrile, .beta.-methylene-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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