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
   -2.0726    0.9289   -0.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3726   -0.0517    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0353   -0.9230    0.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0843   -0.0204    0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7975   -0.8073    0.8812 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1815   -0.4877    0.6696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1819    0.2215   -0.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8969    0.8662   -0.5707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340    1.9041   -0.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9337    0.6287   -1.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1423    1.0420   -0.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5023   -1.6068    1.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1009   -0.9435    0.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6099    0.1369    1.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7268   -1.4749    0.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2639   -0.4311   -1.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9510    1.0182   -0.6237 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