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
    1.5621   -0.1808    0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8526    0.3761   -0.3895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5218    0.3440   -0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1206   -0.8247   -0.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3485    1.5046   -0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    2.4408   -0.3914 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527   -0.0223    0.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2509    0.2967    1.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4213   -1.2701    0.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260   -1.7431   -0.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2018   -0.9212   -0.6865 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