Basic information
- CAS
121204-89-5- Standard SMILES
C=CC(=O)NC1CC2CCC1(C)C2(C)C- InChIKey
YBIUHEWITUKHPU-UHFFFAOYSA-N- Molecular formula
- C13H21NO
- Average molar mass
- 207.31 g/mol
- Monoisotopic mass
- 207.16231429
Names & identifiers
- Preferred name
- 2-Propenamide, N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-
- IUPAC
- N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
Names & synonyms
121204-89-52-Propenamide, N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-N-{1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL}PROP-2-ENAMIDEN-(1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl)prop-2-enamiden-isobornylacrylamideMLS000769132SCHEMBL1071969CHEMBL1367317DTXSID40396919HMS2793O21STL147296AKOS005747007
Show more names
NCGC00659964-01SMR000433866EN300-6636690Z440634318N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamideN-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)prop-2-enamideN-((1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)acrylamide
Database identifiers
- CAS
121204-89-5- PubChem CID
- 3824523
- DTXSID
DTXSID40396919- ChEMBL
CHEMBL1367317
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
Solubility>31.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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