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
    0.7456   -0.7569   -2.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1723   -0.0026   -1.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2008   -0.3863    0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7696   -1.4681    0.5705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4041    0.4173    1.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099    1.5667    1.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3375   -0.0401    2.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2983   -0.4281    3.8238 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455   -0.6300   -2.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4588   -1.8256   -1.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3540   -0.4713   -3.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4455    2.1325    1.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0511    1.8925    0.0202 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