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
   -1.3052    1.0763   -1.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1457   -0.1567   -0.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0219   -1.1121   -0.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104   -0.2841    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0924   -1.3338    1.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9330    0.7330    0.4608 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0004    0.5103    1.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7663   -0.6826    0.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3837   -1.6222    0.6853 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9226    0.8637   -2.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8495    1.8621   -0.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3282    1.4869   -1.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050   -2.0107   -0.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8572   -1.0065   -1.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5161    0.2731    2.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538    1.4032    1.4491 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