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
   -3.2374   -0.1112    0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9241   -0.5817   -0.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8740    0.2411    0.3232 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4539    0.0048   -0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294   -0.9294   -0.8743 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4356    0.8377    0.4671 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7849    0.7200    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962   -0.1491   -0.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1138    0.1789    1.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9856   -0.9216    0.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6130    0.7704   -0.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9060   -0.4699   -1.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147   -1.6036    0.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1374    1.6088    1.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4601    1.4449    0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808   -0.8973   -1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3903   -0.1430   -0.7932 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