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
   -1.9656   -0.3176   -1.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0992   -0.5653   -0.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3642   -1.5624    0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0427    0.3004   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598    1.2282   -0.8174 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9161    0.1652    1.0507 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300    1.0032    1.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9193    0.9058    0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245    0.8416   -0.7863 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7141   -0.9936   -2.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0262   -0.5714   -1.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8706    0.7170   -1.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2155   -2.2058    0.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7323   -1.7353    1.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5569    0.7507    2.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6383    2.0391    1.4112 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