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
    1.7706    1.1517    1.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5275    0.9487    0.5964 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2651   -0.2695    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1002   -1.1912    0.0275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0116   -0.4486   -0.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2888   -1.6184   -1.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9780    0.6124   -0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7725    1.4806   -0.7018 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    1.0315    0.5839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7307    2.1381    1.7630 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8466    0.3263    2.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2434   -1.7424   -1.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5779   -2.4192   -1.2248 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