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
   -2.2484   -0.8122   -0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3257    0.3218    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7685    1.4607    0.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0907    0.1321   -0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6387   -0.9623   -0.5639 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0678   -0.7985   -0.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2753    0.3320    0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890    1.0774    0.1592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2739   -0.4366   -0.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8143   -1.3236   -1.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2060   -1.5125    0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0857    2.2473    0.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8150    1.5984    0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5566   -1.7185   -0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097   -0.4808   -1.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1462    0.9453    0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3634   -0.0699    1.3747 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