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
2.2418 -0.8160 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3485 0.2154 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8766 1.1659 1.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1082 0.1527 0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0009 0.9678 0.6828 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3231 0.6293 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1372 -0.8211 -0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7478 -0.8080 -0.5022 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6840 -0.4722 -1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0980 -1.0183 0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7323 -1.8010 -0.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1895 1.9145 1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9131 1.2295 1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6642 1.2606 -0.6127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9989 0.6998 1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7668 -0.9651 -1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3368 -1.5336 0.6100 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