Monomers

2-Cyanoethyl acrylate

Identifiers

IUPAC name
2-cyanoethyl prop-2-enoate
InchI
InChI=1S/C6H7NO2/c1-2-6(8)9-5-3-4-7/h2H,1,3,5H2
InchI Key
AEPWOCLBLLCOGZ-UHFFFAOYSA-N
SMILES
C=CC(=O)OCCC#N
Canonical SMILES
C=CC(=O)OCCC#N
Isomeric SMILES
C=CC(=O)OCCC#N
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H7NO2
Heavy Atom Count
9
Molecular Weight
125.127
Exact Molecular Weight
125.0477
Valence Electrons
48
Radical Electrons
0
tPSA
50.09
MolLogP
0.6293
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 16 15  0  0  0  0  0  0  0  0999 V2000
   -2.5684    1.6468    0.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6839    0.7130    1.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8910    0.0937    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0291    0.4362   -1.0184 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0450   -0.8938    0.4518 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8188   -1.5023   -0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6846   -0.5335   -1.2962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5933    0.1226   -0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3280    0.6544    0.3948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1769    2.1298    1.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6882    1.9436   -0.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5752    0.4269    2.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5148   -2.2112   -0.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2148   -2.1119   -1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1358    0.2148   -1.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2774   -1.1291   -2.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  3  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers