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
   -2.5151   -0.3677    0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.4918   -0.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9335    0.3436   -1.2181 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2499    0.1435   -0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2194   -0.7753    0.3760 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3889    0.9342   -0.6588 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5905    0.8093    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8385   -0.0562    0.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1681    0.5751    0.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6381   -0.3643    0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1796   -1.2733    1.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6968   -1.5422   -1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8614   -0.3069   -1.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3070    1.6951   -1.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193    1.5064   -0.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1832   -0.7940    1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8449   -0.0355    1.4192 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