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
    1.0787    0.6246    1.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5367   -0.6853    0.7283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3201   -0.4670   -0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1921   -1.3670   -0.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655    0.7438   -1.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2169    1.8915   -1.6955 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5955    1.0425    0.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6890    0.6544    1.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1211    1.2626    1.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9627   -1.4196   -1.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0638   -2.2807   -0.0265 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