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
   -2.2951    0.1791   -0.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2089    0.0190    0.0204 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1007    0.0486   -0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3812    0.2214   -1.5730 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1364   -0.1234    0.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3980   -0.0940    0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8377   -0.3275    2.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6050   -0.4772    3.1314 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1160    0.7160   -0.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0087    0.8062   -1.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6878   -0.8045   -1.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775    0.0553   -0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800   -0.2191    0.9128 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