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
   -3.2245    0.0595    0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9254    0.6510    0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8950   -0.2871    0.5352 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4409   -0.0064    0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6444    1.0648   -0.3631 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4238   -0.9410    0.5164 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808   -0.7804    0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3648    0.2280   -0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4532    0.3825    1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0838    0.3405    0.0656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2143   -1.0493    0.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7317    1.6264    0.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9514    0.8068   -0.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1043   -1.8392    1.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4642   -1.5970    0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    1.0737   -0.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4338    0.2672   -0.5280 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