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
    0.7474    0.0118   -1.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1938   -0.8313   -0.5427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3422   -0.1887    0.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3999   -0.8459    1.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8304    1.1669    0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2296    2.2551    0.4779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0193    0.7027   -1.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6399    0.5604   -1.1783 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0997   -0.6061   -2.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8191   -0.3579    2.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0401   -1.8670    1.7921 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