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
    0.4939    1.0731   -1.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2624    1.3085   -0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7996    2.4926    0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3917    0.2278    0.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0206    0.4098    1.9018 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1675   -0.9982    0.5890 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0768   -2.1000    1.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7879   -3.2341    0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3637   -4.1317    0.3928 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902    1.7295   -2.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5698    1.3882   -1.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0229   -1.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3417    2.6475    1.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7276    3.3155   -0.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4951   -1.7998    2.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0139   -2.3516    1.5351 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