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
   -2.1678   -0.7510    0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3443    0.1789   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9428    1.1218   -0.8179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1006   -0.0072   -0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7437   -0.9030    0.4991 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1476   -0.7618    0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2641    0.6472   -0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9795    0.7943   -0.9053 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2157   -0.7677    0.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0060   -0.4203    1.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7106   -1.7598    0.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3783    1.7915   -1.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0036    1.2144   -0.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7276   -0.9370    1.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3927   -1.5112   -0.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303    1.3319    0.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0829    0.7389   -0.9967 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