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
    1.5134   -1.0859   -1.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3462   -0.8612   -0.6339 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3432    0.2837    0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3147    1.0993    0.1394 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833    0.6282    0.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8092   -0.1815    1.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207    1.8056    1.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8446    2.7568    2.4766 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4968   -0.3123   -2.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3762   -0.9942   -0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4012   -2.0808   -1.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8773   -1.1020    0.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6567    0.0442    1.6423 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