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
   -1.6239   -0.0429   -0.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7389   -0.4531    0.3884 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6003   -0.2048    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1675    0.9199    0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4374   -1.1982    1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1290   -1.9923    1.5688 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6973    1.0627   -0.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4444   -0.4869   -1.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6544   -0.3620   -0.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2282    1.0661    0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5965    1.6913   -0.4591 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