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
    0.1382   -1.5124    0.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928   -0.7488    0.0484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3764    0.5580   -0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4447    0.7797   -1.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8973    1.6934    0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273    2.6267    0.9808 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326   -1.5687    0.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345   -1.0478    1.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641   -2.5253    1.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8771   -0.0311   -1.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7308    1.7761   -1.6046 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