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
   -0.2615    1.0034    2.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3953   -0.3489    1.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0469    0.1486    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2239    1.2773   -0.1569 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0579   -0.8302   -1.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3596    0.0002   -2.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1758   -2.0053   -0.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4170   -3.2257   -0.1283 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8360    1.2073    2.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4782    0.5675    3.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8635    1.6970    1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6132    1.0083   -2.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5479   -0.4993   -3.2398 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