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
   -2.0857   -0.9830    0.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3216    0.2294    0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9546    1.3890    0.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0769    0.1180    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8652    1.0906   -0.3117 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1936    0.6052   -0.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1807   -0.7966   -0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7770   -1.0753    0.0015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665   -1.0259    1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333   -1.9158    0.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0905   -0.8799    0.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4111    2.2752    0.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9866    1.4825    0.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370    1.2617   -0.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3952    0.5401   -1.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5134   -0.7884    1.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7110   -1.5268   -0.6473 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