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
    3.2897   -0.1586    0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690    0.2542   -0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8873   -0.3079    0.3065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.0265   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5530    0.7272   -1.0515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5296   -0.5864    0.6242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8685   -0.3513    0.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3111    0.3933   -0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9988    0.7118    0.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7148   -1.0422   -0.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1428   -0.4170    1.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8761    1.3712   -0.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9250    0.0537   -1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3331   -1.2259    1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6782   -0.8295    0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6947    0.9254   -1.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3896    0.5087   -0.8353 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