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
    1.6414   -0.5574   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7398    0.1750   -0.8663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5827    0.3329   -0.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4002   -0.4946    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9130    1.8043   -0.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1788    2.9873   -0.5872 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7110   -0.5233   -0.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3786   -0.4996    0.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3572   -1.6706   -0.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4122   -0.0264    0.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3411   -1.5276    0.2438 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