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
   -1.8436    0.6325    1.4188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0270    0.0384    0.4203 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3063    0.3086    0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8155    1.1466    1.0514 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0676   -0.3425   -0.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4697   -1.1999   -1.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4559   -0.0222   -0.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6039    0.2247   -1.0222 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0521   -0.0698    2.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8275    0.8465    0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4057    1.5413    1.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5882   -1.4002   -1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0252   -1.7041   -2.3827 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