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
    1.1014   -0.4949    1.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0664    0.3540    1.0298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6204    0.3313   -0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1158    0.9019   -1.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8711   -0.2685   -0.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9705   -0.7931   -0.3797 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -1.5406    1.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9736   -0.5065    0.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5299   -0.2716    2.3858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6267    0.9006   -2.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580    1.3873   -1.2118 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