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
   -1.5575    1.5090    0.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1751    1.1826    0.6055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4807    1.8804    1.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4409   -0.0101    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6011   -0.3530    0.3395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -0.8019   -0.9284 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4861   -1.9269   -1.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8154   -2.8383   -0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0573   -3.5632    0.5189 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8173    2.5671    0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2438    0.7908    0.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6015    1.2807   -0.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4723    1.6002    1.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    2.7504    1.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4140   -1.6405   -1.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2068   -2.4272   -2.1500 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