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
    1.5681    0.0904   -0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2196    0.4200   -0.8728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7675    0.2055    0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9673   -1.0409    0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5661    1.2703    0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2100    2.1568    1.0483 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6735   -0.9882   -0.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0508    0.6865    0.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1005    0.3280   -1.6417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7137   -1.2592    1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3878   -1.8691    0.1190 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