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
   -2.2139    1.4534    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1591    0.1660   -0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333   -0.7647    0.0103 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1244   -0.4529    0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4561    0.6620   -0.3191 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9927   -1.4227    0.6515 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3705   -1.2134    0.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0475   -0.1632    0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0344    1.3731    1.2935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4956    2.1786   -0.2057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2267    1.8884    0.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1426   -0.2778   -0.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7576    0.3994   -1.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5649   -2.3488    0.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9673   -2.0442    1.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5962    0.6941    0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1437   -0.1275    0.6159 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