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
   -2.0727   -0.2341    0.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1016   -0.0856   -0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5468    0.0636   -1.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3535   -0.1021   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1753    0.0234   -1.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7770   -0.2587    1.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -0.2909    1.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7343    0.9883    1.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1939    1.9964    0.7693 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5566    0.0562    1.5854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4862   -1.2750    0.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9155    0.4617    0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6093    0.0727   -1.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8896    0.1777   -2.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6023   -1.1470    0.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1976   -0.4464    2.5796 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