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
    1.6654    0.0750    0.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3352    0.0926    0.9137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7685    0.0772    0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0539   -1.0056   -0.5988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6061    1.2354   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2814    2.1722   -0.1177 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9002   -0.8358   -0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399    0.9516   -0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3173    0.1147    1.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9205   -0.9970   -1.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4275   -1.8803   -0.5220 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