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
   -1.8708   -1.4894   -0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3499   -0.1839    0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1377    0.7046    0.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0595    0.0804   -0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9835   -0.7059   -0.5566 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2677   -0.0401   -0.5213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0593    1.1126    0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6447    1.2839    0.3001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0838   -2.1908   -0.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6282   -1.2927   -1.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4444   -2.0014    0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1838    0.4914    0.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7766    1.6614    0.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5986    0.3442   -1.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0520   -0.6993   -0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5430    2.0497    0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2669    0.8753    1.4736 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