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
    1.6620    0.3765   -0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4549    0.7631    0.3815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7418    0.1169    0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8980   -1.1937    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8712    0.8965   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7845    1.5162   -0.5652 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467   -0.6584    0.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4588    1.0388    0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6608    0.5472   -1.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0258   -1.7531    0.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8619   -1.6501    0.2923 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