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
   -0.3764   -1.6506   -0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2244   -0.7372    0.6970 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642    0.5754    0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2784    1.5893    1.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0437    0.8242   -0.7372 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7646    1.0475   -1.6339 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6162   -1.7159   -0.9096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0887   -1.2873   -1.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7122   -2.6329   -0.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0303    2.5796    0.7983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9389    1.4079    1.8972 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