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
   -2.2532    1.0796   -0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2649   -0.1606    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1489   -0.9908   -0.0704 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1371   -0.4759    0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2091    0.6941    0.5596 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2776   -1.2739   -0.0857 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5749   -0.8015    0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9445    0.3679    0.5400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3228    1.3532   -0.8713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8127    1.9540   -0.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7626    0.8664   -1.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2435    0.1289    1.2698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1874   -0.7363   -0.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1039   -2.2785   -0.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3865   -1.5210   -0.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0352    0.5825    0.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3272    1.2121    0.8114 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