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

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
   -2.6470    1.0158    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3099   -0.4328    0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9902   -0.6650    0.5964 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0686   -0.2898   -0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1913    0.2720   -1.2983 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4268   -0.5041    0.1285 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4648   -0.0967   -0.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7270   -0.2998   -0.4177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1623    1.4589   -0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4965    1.6261    0.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7504    1.0555   -0.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9710   -0.8058    1.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6192   -0.9786   -0.6930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6730   -0.9664    1.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2673    0.3935   -1.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9570   -0.7822    0.5175 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5532   -0.0006   -1.0586 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