Monomers

Methyl 2-cyanoacrylate

Identifiers

IUPAC name
methyl 2-cyanoprop-2-enoate
InchI
InChI=1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3
InchI Key
MWCLLHOVUTZFKS-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)C#N
Canonical SMILES
COC(=O)C(=C)C#N
Isomeric SMILES
COC(=O)C(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H5NO2
Heavy Atom Count
8
Molecular Weight
111.1
Exact Molecular Weight
111.032
Valence Electrons
42
Radical Electrons
0
tPSA
50.09
MolLogP
0.2392
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

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.7067    2.2864   -0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960    0.8543   -0.3360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3925    0.1589    0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3545    0.8623    0.5810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4088   -1.3088    0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6208   -1.9833   -0.1698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5748   -1.9278    0.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5050   -2.4389    1.2645 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7082    2.7049   -0.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0748    2.7187    0.4086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2884    2.6205   -1.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6543   -3.0638   -0.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864   -1.4834   -0.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  3  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  6 12  1  0
  6 13  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers