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
    1.8929   -1.3374   -0.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1528   -0.6491   -0.1381 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4149    0.0385    0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8003    0.2112    1.8156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9223    0.6468    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6374    0.8153   -0.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5037    1.3390    1.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9002    1.8194    2.4741 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373   -1.6447   -0.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100   -2.3614   -1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9572   -0.9141   -2.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9122    0.6600   -1.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6896    1.3767   -0.3614 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