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
   -3.2575    0.7347   -0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2168   -0.2708   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9230    0.2914   -0.2688 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2371   -0.3887    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1932   -1.5600    0.4703 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5370    0.2044   -0.1810 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7107   -0.5244    0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8838    0.0375   -0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7921    0.3650   -1.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736    1.7035   -0.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9922    0.8668    0.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.4479    1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3205   -1.2429   -0.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5557    1.1779   -0.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6692   -1.5234    0.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9728    1.0417   -0.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8245   -0.4649    0.1498 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