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
-2.2217 0.7497 -0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3169 -0.3805 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7599 -1.6007 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0937 -0.1137 0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 -0.9767 0.4885 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2647 -0.3277 0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0846 0.9865 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 1.1451 0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 1.6678 -0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9393 0.9404 0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6937 0.5398 -1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0973 -2.3855 0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7958 -1.8222 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4671 -0.1859 1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0145 -0.9671 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 0.9026 -1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5573 1.8282 0.3947 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