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
    0.7051    3.2115    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7629    1.7897    1.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1566    0.9829    0.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0492   -0.3981    0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5043   -0.9035    1.1956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5398   -1.2384   -0.8060 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -2.6474   -0.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1650   -3.3974   -1.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1571    3.7757    0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6211    3.7333    0.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6378    3.2886   -0.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1448    1.6376    1.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7867    1.4485    1.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9203   -0.8116   -1.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1990   -3.0593    0.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5527   -2.9593   -2.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2263   -4.4528   -1.3484 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