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
    2.2350   -0.2480    0.8989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9711   -0.5248    0.3444 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0563    0.4615    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3784    1.6532    0.3498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2719    0.1751   -0.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5618   -1.0792   -0.7669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831    1.2564   -0.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9357    2.1323   -0.9788 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461    0.8267    1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0315   -0.7702    0.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2195   -0.6705    1.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5189   -1.3367   -1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8665   -1.8758   -0.5710 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