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
   -3.3357    0.1107    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1013    0.5884   -0.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9616   -0.0547    0.1478 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3235    0.1955   -0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4235    1.0219   -1.2651 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4720   -0.4251    0.2351 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7694   -0.1445   -0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8438   -0.7179    0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1233   -0.7042    1.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1003   -0.2877   -0.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7852    0.9409    0.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1570    0.2170   -1.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0349    1.6848   -0.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3862   -1.1047    1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.5671   -1.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8132   -0.4697   -0.1722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7097   -1.4178    1.0561 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