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
   -1.6609    1.0486    0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2111   -0.3600    0.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9277   -1.3075    1.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942   -0.6942    0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5184   -1.8567    0.0953 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9139    0.2684   -0.5779 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1891   -0.0506   -1.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7342    1.2045   -1.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545    2.1978   -2.0977 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2512    1.4633   -0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7657    1.1402    0.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2378    1.6822    1.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9078   -1.1145    1.5405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5727   -2.3243    1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0650   -0.8126   -1.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8655   -0.4847   -0.3343 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