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
   -0.9142   -0.6951   -1.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9011    0.0187   -0.1237 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065    0.4311    0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157   -0.0334    1.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1661    1.3668   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9317    2.1086   -0.4624 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3835   -1.6827   -1.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9791   -0.9617   -1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5521   -0.1147   -2.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3021    0.2922    2.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2921   -0.7297    2.2113 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