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
    2.0691   -1.3834   -0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1725   -0.3011    0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342    0.4135    1.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929   -0.0165   -0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4913   -0.6642   -1.3588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8960    0.9872    0.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1467    1.3287   -0.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069    0.1464   -0.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7113   -0.7921   -0.3147 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772   -1.6726   -1.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9679   -2.2672    0.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963   -0.9790   -0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8938    1.1835    1.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4843    0.2223    1.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0277    1.6850   -1.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6225    2.1094    0.1810 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