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
    1.7528   -0.1969    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4660   -0.7054    0.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7111   -0.0574    0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7849   -0.7501   -0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7693    1.3936    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8129    2.5478    0.1621 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    0.6856    0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4829   -0.9481    0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    0.0999   -0.9612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7164   -0.2580   -0.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7486   -1.8108   -0.2601 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