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
2.2615 0.8088 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3212 -0.3374 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8287 -1.5469 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.1736 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7168 0.9639 0.1332 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.1504 0.7430 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2705 -0.6689 -0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0177 -1.2111 0.1348 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7557 1.7081 -0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0933 0.5206 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6674 1.0153 0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1843 -2.4234 -0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8820 -1.6981 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2337 1.8766 0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4010 0.8053 1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6682 1.4839 -0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1162 -1.2179 0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3096 -0.6483 -1.3394 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