Monomers

Cyanomethyl 2-methylprop-2-enoate

Identifiers

IUPAC name
cyanomethyl 2-methylprop-2-enoate
InchI
InChI=1S/C6H7NO2/c1-5(2)6(8)9-4-3-7/h1,4H2,2H3
InchI Key
KXTNMKREYTVOMX-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCC#N
Canonical SMILES
CC(=C)C(=O)OCC#N
Isomeric SMILES
CC(=C)C(=O)OCC#N
Resources
cid=

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
    0.8952    1.2311    1.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2366    0.6930    1.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920    0.6354    1.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0480   -0.2741   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2808   -0.0730   -0.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6594   -1.2029   -0.6413 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0274   -1.8125   -1.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0302   -0.5781   -2.7273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0520    0.5678   -3.5536 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6646    1.3822    2.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8086    0.5497    1.7044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2815    2.2207    1.3378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2008    0.1093    0.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9652    1.0456    2.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5824   -2.5361   -2.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0480   -1.9582   -1.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  3  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  7 15  1  0
  7 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers