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
   -3.1840    0.7979    0.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1992   -0.2842    0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8978    0.2683    0.2003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135   -0.4915   -0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0528   -1.7235   -0.3260 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5238    0.0248   -0.1883 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448   -0.7976   -0.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680   -0.3539   -0.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7377    1.7667    0.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3538    0.8497    1.7065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1317    0.6637    0.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4812   -0.8474   -0.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2134   -1.0109    1.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6910    1.0404   -0.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461   -1.8587   -0.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792    0.6954   -0.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6795   -0.9900   -0.8323 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