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
   -1.1833    0.2114    0.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286   -0.6605   -0.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3769   -0.3939   -0.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4048    0.4415   -1.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6030   -1.0162   -0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5774   -1.4984    0.0326 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3865    0.1369    1.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2131    1.2667    0.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1839   -0.0672    1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3348    0.6829   -2.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5015    0.8968   -2.1014 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