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
1.9656 -1.2731 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3522 -0.0125 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1256 1.0091 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0901 0.1045 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7008 1.1511 0.5414 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1127 0.9208 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2802 -0.3453 -0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9841 -0.9084 -0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2822 -1.1720 -1.5357 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8095 -1.6007 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2338 -2.1125 -0.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2032 0.9506 0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7292 1.9507 0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6398 1.7893 0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4198 0.7515 1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4900 -0.1489 -1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9837 -1.0544 0.1772 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