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
    1.6701    0.0637    0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8155   -0.2320   -0.6071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5722   -0.2130   -0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2075    0.9198   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3503   -1.4116   -0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9985   -2.3842   -0.6330 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5073   -0.6528    1.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7104    0.0183    0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011    1.0652    0.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2791    0.9498   -0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6970    1.8768   -0.1386 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