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
   -3.3447   -0.4025    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1378    0.5104   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9794   -0.3019    0.0070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2813    0.3116   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3526    1.5694   -0.0381 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840   -0.4101    0.0115 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7548    0.2219   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8850   -0.4360    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9853   -0.2041   -0.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0593   -1.4705    0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9154   -0.1650    0.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0880    1.1606    0.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1904    1.1711   -0.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4481   -1.4495    0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7793    1.2976   -0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8132    0.0996    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -1.5027    0.0403 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