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
   -2.3424    0.3715   -0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898    0.8027    0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1148    1.8519    0.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1755    0.1007    0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3272    0.3573    0.5085 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3457   -0.5742    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4899   -1.7123   -0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3160   -1.0115   -0.7918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0685   -0.0174   -1.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9267   -0.3362    0.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633    1.2776   -0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9970    2.4355    1.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2067    2.1729    1.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9582   -0.1882   -0.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9502   -0.9269    0.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8957   -2.1603   -1.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508   -2.4430    0.3321 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