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
   -1.2188    2.0712    0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9265    0.6370    0.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071   -0.0505    1.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0891   -0.0389   -0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7164    0.6402   -1.1570 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3927   -1.3670   -0.1899 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4095   -1.9329   -1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6345   -1.1944   -0.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6278   -0.6121   -0.4946 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3016    2.3083   -0.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1890    2.3275    0.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4531    2.7151    0.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3670    0.4146    2.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4113   -1.1003    1.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0798   -1.8016   -2.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246   -3.0162   -0.8342 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