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
   -2.0917   -0.1341   -1.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3491    0.1032    0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0046    0.2872    1.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1068    0.1326    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8638   -0.0357   -0.9723 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2586    0.0611   -0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1779   -0.2432    0.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9234    0.3485    1.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5022    0.2444   -2.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2739   -1.2030   -1.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0599    0.4097   -1.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0620    0.2659    1.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112    0.4662    2.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5635    1.1134   -0.7889 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917   -0.6670   -1.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0645   -1.3357    0.9944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0045    0.1865    1.4634 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