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
2.2813 -0.2714 -0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3435 0.0025 0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8056 0.1349 1.5541 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0796 0.1124 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6552 0.0020 -1.1100 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0894 0.1753 -1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3209 -0.0304 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0703 0.3674 1.0058 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8683 0.2145 -1.6991 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2974 0.1149 -0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2938 -1.3645 -0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8621 0.0489 1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1573 0.3332 2.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4314 1.1655 -1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5427 -0.6559 -1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1120 0.6991 0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6078 -1.0483 0.7299 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