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
   -3.2276   -0.0356    0.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9428    0.3909    0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -0.3216    0.4954 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4458   -0.0217   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5019    0.8904   -0.8645 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5345   -0.7721    0.4721 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8390   -0.5340    0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2472    0.3411   -0.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2703   -1.1165    0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1103    0.2138    0.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3717    0.5042    1.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709    1.4816    0.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0433    0.2375   -1.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3886   -1.5263    1.1917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6614   -1.1591    0.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3094    0.3835   -1.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6423    1.0438   -1.4004 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