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
   -3.2722   -0.1104   -0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9594    0.6316   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9425   -0.3403   -0.1542 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4244   -0.0050   -0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970    1.1901    0.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4173   -0.9837   -0.2107 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7941   -0.7283   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3808    0.4165    0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1409   -1.1004    0.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1162    0.4212    0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4297   -0.2456   -1.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9016    1.1773    0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8749    1.4302   -0.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0576   -1.9793   -0.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4902   -1.5958   -0.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4900    0.4648    0.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8858    1.3570    0.2143 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