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
   -3.3172    0.5128   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1724   -0.4801   -0.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9765    0.2815   -0.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2624   -0.3253   -0.1982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3437   -1.5760   -0.4388 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4954    0.3686   -0.0703 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7403   -0.3385   -0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8623    0.3511   -0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0306    1.4411   -0.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4410    0.6738    1.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2443    0.1506   -0.5180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2322   -0.9888   -1.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2191   -1.2914    0.5509 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4624    1.3818    0.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7676   -1.3974   -0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8785    1.4096    0.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8207   -0.1732   -0.1889 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