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
   -0.8672   -0.1105    1.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2782    0.1720    0.3658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5298    0.4522    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3070    0.1448   -0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6829    0.3881   -1.8788 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0485   -0.1498   -0.4558 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100   -0.1522   -1.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4767   -1.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3590   -0.7121   -0.7743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4698    0.7770    2.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1313   -0.9650    1.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7285   -0.4804    2.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2431    0.4721    0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8687    0.6652   -0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8730    0.8694   -2.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6370   -0.8941   -2.3238 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