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

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
    3.2335   -0.2186    1.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079    0.0840   -0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8859   -0.0852    0.4377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2236    0.1304   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0909    0.4953   -1.5310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5050   -0.0559    0.1972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7102    0.1428   -0.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9020   -0.0351   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2213   -0.2654    0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2041    0.4750    1.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -1.2547    1.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3076    1.1793   -0.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   -0.4724   -0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6224   -0.3644    1.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6252    0.4564   -1.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7660    0.1363   -0.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0766   -0.3477    1.0024 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