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
    2.2454    0.2367    1.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1597    0.2631    0.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0845   -0.1333    0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2262   -0.5074    1.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2722   -0.1473   -0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1103    0.2463   -1.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5435   -0.5620    0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5658   -0.8926    0.6162 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8325    0.5367    2.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6561   -0.8060    1.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468    0.9530    0.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1756    0.5643   -1.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9627    0.2484   -2.1830 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