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
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
-2.0783 1.1529 0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3634 -0.1097 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0180 -1.1837 -0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0893 -0.1595 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8280 -1.1909 -0.1910 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2223 -0.8516 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1790 0.6550 -0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8981 0.9092 0.4601 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1433 0.9445 0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5482 1.5697 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9569 1.8826 -0.4669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4942 -2.0791 -0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0915 -1.1482 -0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4986 -1.1726 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8766 -1.2893 -0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9891 1.1649 0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1129 0.9061 -1.2070 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