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
   -1.0085    0.8372    2.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5785    0.8330    0.8428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7811    1.8934    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0608   -0.3644    0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2565   -1.3845    1.0374 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4850   -0.4394   -0.9844 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1141   -1.5997   -1.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4573   -1.4012   -2.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249   -1.2323   -4.0424 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1244    1.0087    2.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8592   -0.1369    2.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5123    1.6759    2.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2494    2.7720    0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4577    1.8691   -0.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0405   -1.8519   -0.9660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318   -2.4792   -1.4436 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