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
   -3.2402    0.0092    0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9512   -0.5613    0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8979    0.2329    0.0987 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4391   -0.0277    0.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6742   -0.9695    1.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3932    0.8234   -0.2109 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7729    0.6698    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3684   -0.2200    0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2493   -0.2307   -0.9861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1408   -0.4654    0.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2165    1.1060    0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8145   -1.6204    0.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9328   -0.5406    1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0577    1.6061   -0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4261    1.3886   -0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530   -0.9636    1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4588   -0.2366    0.8252 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