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
   -1.2376   -0.5073   -1.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0698   -0.8256   -0.4199 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5843   -0.0359    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3560    0.9339    0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4053   -0.2995    1.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725   -0.4813    3.0443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0942   -0.2762   -0.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0666    0.2763   -1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4933   -1.4538   -1.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8590    1.5383    0.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4845    1.1311   -0.9289 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