Monomers

Vinylcarbamic acid ethyl ester

Identifiers

IUPAC name
ethyl N-ethenylcarbamate
InchI
InChI=1S/C5H9NO2/c1-3-6-5(7)8-4-2/h3H,1,4H2,2H3,(H,6,7)
InchI Key
HNPDNOZNULJJDL-UHFFFAOYSA-N
SMILES
CCOC(=O)NC=C
Canonical SMILES
CCOC(=O)NC=C
Isomeric SMILES
CCOC(=O)NC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H9NO2
Heavy Atom Count
8
Molecular Weight
115.132
Exact Molecular Weight
115.0633
Valence Electrons
46
Radical Electrons
0
tPSA
38.33
MolLogP
0.876
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -3.0056    0.6433   -1.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0619   -0.3643   -0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8525    0.3193   -0.3006 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065   -0.3613    0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0192   -1.5762    0.5433 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4508    0.2671    0.5673 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5316   -0.4429    1.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6623    0.1624    1.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7856    1.6271   -0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8853    0.6991   -2.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0532    0.3267   -0.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5560   -0.7191    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9227   -1.2047   -1.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5608    1.2788    0.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   -1.4874    1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7903    1.1989    1.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4763   -0.3666    1.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers