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
    1.6357    0.3884    0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7613   -0.7099   -0.1423 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6102   -0.4970   -0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1245    0.7076    0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4709   -1.6390   -0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1584   -2.5848   -0.2723 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4479    0.8048    1.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6914    0.0341    0.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5051    1.1071   -0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966    0.8250    0.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4808    1.5636    0.1076 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