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
    2.3693    0.4259   -0.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750    0.3520    0.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0147   -0.1831   -0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2153   -0.6161   -1.5365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3447   -0.2473    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5295    0.2215    1.4213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4023   -0.8204   -0.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2733   -1.2994   -1.2113 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0605   -0.0095    0.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6338    1.5005   -0.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216   -0.1452   -1.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946    0.6359    1.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5163    0.1852    1.8785 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