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
    2.5312   -0.5931   -0.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9587   -0.8356    0.7312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8872    0.0703    1.0281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2570    0.1115    0.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3043   -0.6706   -0.7276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3422    0.9810    0.4837 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5297    1.1086   -0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8131    0.4000   -1.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5584   -0.1845   -0.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6228   -1.5427   -1.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8948    0.0723   -1.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5581   -1.8839    0.7727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160   -0.7292    1.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2258    1.6255    1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584    1.8422    0.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2154   -0.3626   -1.7584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7812    0.5907   -1.7666 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