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
   -2.0259    1.1423   -0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3693   -0.0634   -0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1254   -1.0461    0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1036   -0.1525   -0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8990    0.7456   -0.5485 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2858    0.3810   -0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1356   -0.7024    0.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8621   -1.2042    0.3455 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4429    2.0725   -0.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0181    1.3002   -0.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0748    1.0508   -1.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6409   -1.9246    0.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1934   -0.9870    0.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -0.0989   -1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8757    1.2352    0.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9310   -1.4686    0.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0604   -0.2801    1.7039 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