Monomers
2-Prop-1-en-2-yl-4,5-dihydro-1,3-oxazol-3-ium
Identifiers
IUPAC name
2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazol-3-ium
InchI
InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h1,3-4H2,2H3/p+1
InchI Key
LPIQIQPLUVLISR-UHFFFAOYSA-O
SMILES
CC(=C)C1=[NH+]CCO1
Canonical SMILES
CC(=C)C1=[NH+]CCO1
Isomeric SMILES
CC(=C)C1=[NH+]CCO1
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H10NO+
Heavy Atom Count
8
Molecular Weight
112.152
Exact Molecular Weight
112.0757
Valence Electrons
44
Radical Electrons
0
tPSA
23.2
MolLogP
-0.9282
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
18 18 0 0 0 0 0 0 0 0999 V2000
-2.1456 0.8136 -0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3403 -0.2909 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9145 -1.4510 0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0963 -0.1372 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7524 0.9557 0.0147 N 0 0 0 0 0 4 0 0 0 0 0 0
2.1307 0.7354 0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2338 -0.7612 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9436 -1.1296 0.6931 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7026 1.3497 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9147 0.3708 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5136 1.4976 -1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9697 -1.5845 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3654 -2.3037 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3261 1.8519 -0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 0.9734 1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8430 1.3012 -0.2383 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2806 -0.9719 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0472 -1.2194 0.7628 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
5 14 1 0
6 15 1 0
6 16 1 0
7 17 1 0
7 18 1 0
M CHG 1 5 1
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers