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
   -0.1862    0.6438   -2.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1589   -0.1233   -1.6418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2103    0.3709   -0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8254    1.4575   -0.3252 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953   -0.3393    0.8260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7370   -1.4835    0.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3052    0.2060    2.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6304    0.6537    3.1293 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925    1.6843   -2.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082    0.6986   -2.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2480    0.1983   -3.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0673   -1.9495   -0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667   -2.0175    1.7259 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