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
2.2111 0.9168 -0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3642 -0.1245 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9115 -1.0661 0.8599 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0886 -0.1503 -0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7734 0.7214 -0.7532 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1800 0.4148 -0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2547 -0.4641 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9782 -1.0754 0.4778 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5977 1.8645 -0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1275 1.1299 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4342 0.7118 -1.5558 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3583 -1.8417 1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9801 -1.0554 0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4686 -0.2336 -1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8346 1.2819 -0.6673 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0784 -1.1900 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3281 0.1598 1.4352 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