Monomers

2-Methoxyprop-2-enenitrile

Identifiers

IUPAC name
2-methoxyprop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3
InchI Key
PEIBTJDECFEPAF-UHFFFAOYSA-N
SMILES
COC(=C)C#N
Canonical SMILES
COC(=C)C#N
Isomeric SMILES
COC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
33.02
MolLogP
0.6701
H Bond Acceptors
2
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

 11 10  0  0  0  0  0  0  0  0999 V2000
   -1.4291   -0.8622   -0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502    0.2255    0.5624 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4361    0.5788    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4361   -0.0424    0.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6229    1.6099   -0.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7921    2.4356   -1.6158 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4611   -0.5778   -1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4718   -1.0170    0.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7815   -1.7372    0.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625    0.1855    0.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2442   -0.7989    1.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  3  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers