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
    0.2561   -1.0055   -1.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8029   -0.0241   -0.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1137    0.5871    0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0789   -0.0579    1.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4163    1.9400    0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8231    3.0196    0.2445 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0601   -1.8622   -0.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0813   -1.3253   -2.0898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5737   -0.6355   -2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6221    0.4221    2.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3202   -1.0583    1.6983 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