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
   -1.8696    1.0414   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1869   -0.0827    0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7614   -0.7435    1.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1425   -0.4530    0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7457   -1.4019    0.6943 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7719    0.2215   -0.8871 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0573   -0.1144   -1.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0580   -0.0010   -0.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8569    0.0955    0.5729 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1925    1.9295   -0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7332    1.4256    0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    0.7594   -1.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7485   -0.5287    1.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2311   -1.5525    2.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0104   -1.1407   -1.7414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2889    0.5453   -2.2098 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