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
    1.5076   -0.5185   -1.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5298    0.0959   -1.0321 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1482   -0.3687    0.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7251   -1.4024    0.6348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8553    0.2569    1.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4663    1.3363    0.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1779   -0.3006    2.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4432   -0.7562    3.3495 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170   -1.2668   -2.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3226   -0.9854   -1.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0215    0.3088   -2.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2282    1.8641    1.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2008    1.7366   -0.3508 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