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
   -2.4044   -1.1034    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1592    0.1206    0.7997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1468    0.9566    0.3509 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1513    0.4727    0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446   -0.6979    0.5873 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.2576   -0.1888 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5754    0.8617   -0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1139   -0.3058   -0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1868   -0.9512   -0.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5491   -1.5530   -0.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8591   -1.8926    0.6751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1116    0.7245    0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9619   -0.1822    1.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9826    2.2540   -0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2669    1.6497   -0.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5299   -1.1234    0.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1696   -0.4878   -0.1914 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