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
2.1277 -0.8820 0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3874 0.1371 -0.1449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0606 0.9677 -0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0738 0.2091 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8120 -0.5587 0.6572 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.2082 -0.2239 0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1827 0.6333 -0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8635 1.1112 -0.7412 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5724 -0.3503 1.5165 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4814 -1.6872 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9211 -1.3326 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1240 0.9289 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5611 1.7421 -1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5163 -1.3490 1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5486 0.3096 1.3991 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7537 -1.1813 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8570 1.5054 -0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4201 0.0206 -1.6170 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