Monomers

2-Isopropenyl-2-oxazoline

Identifiers

IUPAC name
2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
InchI
InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h1,3-4H2,2H3
InchI Key
LPIQIQPLUVLISR-UHFFFAOYSA-N
SMILES
CC(=C)C1=NCCO1
Canonical SMILES
CC(=C)C1=NCCO1
Isomeric SMILES
CC(=C)C1=NCCO1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H9NO
Heavy Atom Count
8
Molecular Weight
111.144
Exact Molecular Weight
111.0684
Valence Electrons
44
Radical Electrons
0
tPSA
21.59
MolLogP
0.9912
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.1762   -1.0997    0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3415    0.1138    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9594    1.2623   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1100    0.0820    0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8389   -0.9842    0.2354 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2495   -0.6595    0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2434    0.7418   -0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9177    1.1919   -0.0981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4979   -1.9834    0.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9093   -1.2338   -0.5837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7656   -0.9645    1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4086    2.1876   -0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0204    1.2950   -0.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7354   -1.3810   -0.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6420   -0.7448    1.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4012    0.7746   -1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9408    1.4019    0.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers