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
   -2.2892    1.1610    0.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3562    0.7317    1.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5506   -0.3713    1.1431 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3324   -0.3042    0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501    0.7816   -0.5527 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282   -1.4008   -0.3190 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0318   -1.4180   -1.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2587   -0.4184   -2.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7741    1.7408   -0.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0323    1.8599    0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8578    0.2934    0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9851    0.3866    2.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7111    1.5837    1.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0436   -2.2910    0.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6035   -2.3507   -1.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8099    0.5603   -2.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9983   -0.5445   -3.0182 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