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
   -2.0783    1.1529    0.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3634   -0.1097    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0180   -1.1837   -0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0893   -0.1595    0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8280   -1.1909   -0.1910 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2223   -0.8516   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790    0.6550   -0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8981    0.9092    0.4601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1433    0.9445    0.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5482    1.5697    1.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9569    1.8826   -0.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4942   -2.0791   -0.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -1.1482   -0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4986   -1.1726    1.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8766   -1.2893   -0.7807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9891    1.1649    0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1129    0.9061   -1.2070 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