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
   -2.3077    1.4333    0.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2765    0.3952   -0.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3001   -0.5576   -0.4882 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074   -0.1124   -0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2975    1.1019   -0.4914 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0780   -0.9874    0.0221 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4119   -0.5516    0.1881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3357   -1.4248    0.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3530    1.7519    0.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9356    0.9765    1.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6518    2.2935   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0122    0.8698   -1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2820   -0.0826   -0.9308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8413   -1.9850    0.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7028    0.4832    0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3722   -1.1427    0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0721   -2.4611    0.6476 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