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
    1.0376    0.8660   -1.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2543    0.3468   -0.8762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2838    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0453   -1.2410    0.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9687    0.0947    0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9707    0.4146    1.3440 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1078    1.3080   -2.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7994    0.0673   -0.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2771    1.6714   -0.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3381   -1.7215    1.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9790   -1.5225    0.3206 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