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
   -0.7645   -0.0716   -1.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6236   -0.6894   -0.3169 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2464   -0.2824    0.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0091    0.8544    1.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3892   -1.0638    1.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361   -1.7094    1.3356 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5332   -0.6418   -2.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2089   -0.0579   -2.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1357    0.9793   -1.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8232    1.5152    1.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6905    1.1674    2.0716 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