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
   -3.3231    0.2332    0.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1384   -0.2403   -0.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9848    0.1344    0.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2523   -0.1732   -0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2873   -0.7625   -1.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4918    0.1454    0.2000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7488   -0.1808   -0.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8417    0.1547    0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3410   -0.2970    1.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0856    1.2992    0.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2700    0.1591   -0.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2316    0.3241   -1.5743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1962   -1.3185   -0.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4497    0.6327    1.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8568   -0.6903   -1.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8419    0.6675    1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8004   -0.0877   -0.1450 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