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
   -3.4768   -0.5479    0.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2735   -1.0104    0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1929   -0.0700    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4185    1.1642    0.2344 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0996   -0.4982   -0.1275 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0796    0.4889   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237   -0.1444   -0.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4251    0.8971   -0.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414    1.7199   -1.0774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3221   -1.1947    0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6736    0.5136    0.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0944   -2.0662    0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2263    1.1240    0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8413    1.1568   -1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3826   -0.7562   -1.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7322   -0.7765    0.1961 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