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
    0.3234   -1.6359    0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6085   -0.5310   -0.6755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0044    0.6737   -0.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0737    1.1140    0.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7196    1.4649   -1.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3165    2.1033   -2.0980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7607   -1.8648    0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8633   -2.5034   -0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7242   -1.4273    1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6049    0.5558    1.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968    2.0506    1.1560 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