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
   -1.8563   -0.7714   -0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3460    0.2823    0.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2241    1.0787    0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0578    0.4746    0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4008    1.3918    1.2280 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781   -0.3012   -0.0913 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424   -0.0270    0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -0.9526   -0.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0395   -1.7014   -0.9248 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2195   -0.9255   -1.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8646   -0.5007   -1.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8964   -1.7414   -0.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2688    0.9444    0.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8738    1.8531    1.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125   -0.1245    1.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6891    1.0209    0.0451 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