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

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
   -2.8339   -0.5905    0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2445    0.6796   -0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9060    0.5883   -0.7681 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1356    0.2325    0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091   -0.0293    1.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437    0.1922   -0.4993 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5503   -0.1594    0.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7525   -0.1915   -0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7661   -0.8923   -0.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1438   -0.4509    1.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1599   -1.4623    0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4454    1.5429    0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8255    0.9521   -1.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5881    0.4234   -1.5015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267   -0.4063    1.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5814   -0.4645    0.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9559    0.0358   -1.2772 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