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
   -1.4652    1.1132   -1.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712    0.7344   -0.4284 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1373   -0.2951   -0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3668   -0.9447   -1.4037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8265   -0.6453    0.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5805    0.0389    1.9884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7630   -1.7349    0.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5066   -2.6131    0.9553 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8113    1.6862   -2.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2991    1.8027   -1.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8179    0.2386   -2.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1116    0.8503    1.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0959   -0.2312    2.8951 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