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
2.1736 -1.0676 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3627 0.1696 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0104 1.2932 -0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1024 0.1401 0.1038 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7615 -0.9317 0.3519 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1714 -0.6848 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3089 0.6977 -0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9927 1.1989 -0.0016 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1699 -0.7805 0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3294 -1.5956 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7309 -1.7860 0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4070 2.1920 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0681 1.2863 -0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7890 -1.3691 -0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5630 -0.6884 1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0582 1.3175 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5050 0.6083 -1.2449 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