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
   -0.5221    0.5073    2.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3943    0.6943    0.8130 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1372   -0.2872   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5400   -1.3646    0.4496 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2308   -0.0734   -1.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7434   -1.0828   -2.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264    1.0609   -2.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330    2.1277   -2.6191 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0058   -0.3903    2.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5937    0.3445    2.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2371    1.4583    2.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0912   -2.0199   -1.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583   -0.9749   -3.2521 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