Compound Summary
Compound Information
super cinnamaldehyde
Compound Name: | super cinnamaldehyde |
Compound CID: | 12480411 |
Synonyms: | super cinnamaldehyde |
Iupac Name: | (3E)-1-methyl-3-(2-oxopropylidene)indol-2-one |
InChI: | InChI=1S/C12H11NO2/c1-8(14)7-10-9-5-3-4-6-11(9)13(2)12(10)15/h3-7H,1-2H3/b10-7+ |
InChIKey: | CZKBLHCEDVWPRN-JXMROGBWSA-N |
Canonical Smiles: | CC(=O)C=C1C2=CC=CC=C2N(C1=O)C |
Isomeric Smiles: | CC(=O)/C=C/1\C2=CC=CC=C2N(C1=O)C |
Molecular Weight: | 201.22 |
Molecular Formula: | C12H11NO2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
super cinnamaldehyde
Molecular Weight: | 201.22 |
Molecular Formula: | C12H11NO2 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 1 |
Heavy Atom Count: | 15 |
Complexity: | 333 |
Synonyms
super cinnamaldehyde
Experimental Data
super cinnamaldehyde
Experimental Data Visualization
super cinnamaldehyde
Statistics Data
super cinnamaldehyde
Statistics Data Visualization
super cinnamaldehyde
