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
    0.6343   -1.4031   -0.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138   -0.6424   -0.4989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5013    0.5545    0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4661    0.6042    1.4685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5259    1.7991   -0.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5374    2.8271   -1.1282 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068   -1.7016    0.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3195   -0.8905   -1.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2865   -2.3464   -1.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4550    1.5298    2.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4477   -0.3307    2.0064 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