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
    2.6927    0.2121    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0959    0.8740   -0.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8863    0.2108   -1.1693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056    0.2128   -0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0503    0.7775    0.9224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3627   -0.4365   -0.4234 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3564   -0.4139    0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5164   -0.9948    0.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981   -0.3691    0.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0278    0.9375    1.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9918   -0.5113    0.7749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8560    1.9330   -0.5526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7994    0.8661   -1.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879   -0.8938   -1.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1722    0.0862    1.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7104   -1.4962   -0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2867   -0.9944    1.1837 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