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
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
-2.2462 -0.8755 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3211 0.1023 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8241 1.0496 -1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1385 0.0160 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7106 -0.8828 0.5745 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1468 -0.6882 0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2670 0.7477 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0876 0.8789 -0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8980 -0.3768 1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6438 -1.6309 0.7656 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9131 -1.3155 -0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8754 1.1212 -1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1690 1.7641 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5911 -1.3915 -0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5767 -0.8254 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1934 1.3758 1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1791 0.9309 -0.4700 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