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
   -2.4701   -0.2448   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9695   -0.7415    1.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8417    0.0564    1.4226 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2317    0.0088    0.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1530   -0.7034   -0.5103 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4096    0.7597    0.7410 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5435    0.8015   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522    0.1809   -1.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368   -1.0665   -0.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4455    0.2487   -0.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8102    0.5477   -0.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6800   -1.8188    1.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7607   -0.6449    1.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3887    1.3349    1.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3665    1.4544    0.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6964    0.3174   -1.7146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0729   -0.4905   -1.6813 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