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
2.1900 1.0088 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3357 -0.2014 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8929 -1.3643 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1180 -0.0994 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7425 0.9931 0.3813 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1505 0.7074 0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2645 -0.5780 -0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0112 -1.1782 0.0428 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5380 1.8893 0.3068 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8188 0.9330 1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7810 1.1211 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9614 -1.4381 -0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2749 -2.2434 -0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3878 0.5110 1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7771 1.5161 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2298 -0.3669 -1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1113 -1.2102 -0.0192 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