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
   -1.7180    0.0034   -0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5775   -0.7121   -0.4285 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7190   -0.3258   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9522    0.8369    0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -1.1988   -0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6974   -1.9045   -0.7122 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6394    1.0184   -0.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8097    0.1763    1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6011   -0.5483   -0.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1962    1.5448    0.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9725    1.1097    0.6551 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