Basic information
- CAS
51757-82-5- Standard SMILES
NC(=O)C1CC2C=CC1C2- InChIKey
ZTUUVDYQBLRAAC-XVMARJQXSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- Bicyclo(2.2.1)hept-5-ene-2-carboxamide
- IUPAC
- bicyclo[2.2.1]hept-5-ene-2-carboxamide
- English name
- Bicyclo[2.2.1]hept-5-ene-2-carboxamide, (1R,2R,4R)-rel- (9CI)
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
95-17-0Bicyclo[2.2.1]hept-5-ene-2-carboxamideBicyclo(2.2.1)hept-5-ene-2-carboxamideRefChem:10797635-Norbornene-2-carboxamide2-Norbornene-5-exo-carboxamide2-Norbornene-5-endo-carboxamideMFCD00187896Bicyclo(2.2.1)-5-heptene-2-carboxamide51757-85-8Bicyclo[2.2.1]-5-heptene-2-carboxamideBicyclo(2.2.1)hept-5-ene-2-carboxamide, exo-
Show more names
Nsc53243Bicyclo[2.2.1]hept-5-ene-2-carboxamide, (1R,2R,4R)-rel-Bicyclo[2.2.1]hept-5-ene-2-carboxamide, (1R,2R,4R)-rel- (9CI)
Bicyclo[2.2.1]hept-5-ene-2-carboximidic acidBicyclo(2.2.1)hept-5-ene-2-carboxamide, endo-Bicyclo[2.2.1]hept-5-ene-2-carboxamide, endo-Bicyclo[2.2.1]hept-5-ene-2-carboxamide, exo-51757-82-5NSC 92361NSC 53243BRN 3196447
Database identifiers
- CAS
51757-82-5、51757-85-8、95-17-0- PubChem CID
- 96112
- DTXSID
DTXSID00915185- Nikkaji
- J3.453.277J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 309.202 · 309.202±22.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 16.433 · 16.433±0.20(predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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