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
   -2.1167   -1.0507    0.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3510    0.1366   -0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0140    1.1490   -0.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.1520    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8492    1.1346   -0.2833 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2430    0.8239   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1859   -0.6986    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897   -0.8705    0.6116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1911   -0.8670    0.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7468   -1.2902    1.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8131   -1.9137   -0.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0888    1.1421   -0.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5252    2.0549   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5511    1.2075    0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8696    1.1549   -0.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1843   -1.1833   -0.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9699   -1.0816    0.7440 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