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
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
2.0647 1.1941 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3350 -0.0717 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0021 -1.1044 0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0946 -0.1757 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8262 -1.2232 0.0760 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1902 -0.9286 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2316 0.5786 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8866 0.8821 -0.5803 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0911 0.9833 -0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1770 1.7891 0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5391 1.7980 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5354 -2.0559 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0519 -1.0109 0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3442 -1.1830 -1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9317 -1.3939 0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9603 1.0398 -0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3309 0.8823 0.8651 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