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
   -2.1607   -0.8249    0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1646    0.2752    0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4002    1.4211    1.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0633    0.1231   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9486    1.0377   -0.3640 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0264    0.5515   -1.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8981   -0.9455   -1.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621   -1.0301   -0.9412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7644   -0.7286    1.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5713   -1.7727    0.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7574   -0.9101   -0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7075    2.2446    1.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3072    1.5302    1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0180    0.9147   -0.8729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7835    0.8442   -2.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820   -1.4876   -1.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3514   -1.2428   -0.0610 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