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
   -2.1222   -1.1172   -0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2668    0.0560   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7395    1.2802   -0.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1367   -0.1618    0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6116   -1.3278    0.2112 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0302    0.8813    0.4108 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683    0.5708    0.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9696   -0.1540   -0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641   -0.7269   -1.3549 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030   -0.8811   -0.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9191   -1.5744   -1.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9161   -1.8643    0.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1007    2.1357    0.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7814    1.5029   -0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9768    1.4742    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4915   -0.0936    1.5624 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