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
   -2.1957   -0.6847    0.7306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3442    0.0911   -0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8644    0.8756   -1.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0940   -0.0464   -0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7344   -0.7779    0.7090 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1522   -0.6452    0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.6506   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0029    0.6178   -0.9650 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7182   -0.5439    1.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2275   -0.2900    0.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1244   -1.7540    0.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2018    1.4042   -1.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9218    1.0351   -1.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4646   -1.5131   -0.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454   -0.6414    1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1453    1.4837    0.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1063    0.7387   -0.9219 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