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

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
   -2.1489   -1.1288    0.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0015   -0.8527   -0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8303   -1.5714   -1.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0942    0.2332    0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2647    0.9169    1.3763 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0163    0.5616   -0.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8766    1.6104   -0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9467    1.7389   -1.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8088    1.8422   -1.8208 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8472   -1.7929    1.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9985   -1.6144    0.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5428   -0.1968    1.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0046   -1.3999   -1.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5088   -2.3634   -1.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    1.4610    0.9407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2688    2.5562   -0.0736 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