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
   -3.1858   -0.7139    0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8911   -0.1517    0.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921   -0.3296   -0.3012 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3901    0.0971   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5810    0.6215    1.1005 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4400   -0.0727   -0.9766 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7702    0.3164   -0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2495    0.8834    0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5295   -0.0505   -0.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9127   -1.6756   -0.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9385   -0.9238    0.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0721    0.8876    0.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6917   -0.7561    1.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927   -0.5327   -1.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4599    0.1229   -1.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7118    1.1328    1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3184    1.1450    0.2773 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