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
   -2.2179   -0.6717   -1.1691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.7420   -0.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2183    0.7790    0.5097 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    0.3612    0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040   -0.0394   -0.6966 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0068    0.3730    1.4935 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3423   -0.0182    1.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0815   -0.4847    0.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2546   -1.0347   -0.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5318   -1.3814   -0.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1397   -0.6231   -2.2616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7719    1.4485   -1.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0717    1.1122   -0.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5783    0.7327    2.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8692    0.0741    2.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6738   -0.6150   -0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1134   -0.7546    0.6780 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