Monomers
2-Vinylquinoline
Identifiers
IUPAC name
2-ethenylquinoline
InchI
InChI=1S/C11H9N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h2-8H,1H2
InchI Key
XUGNJOCQALIQFG-UHFFFAOYSA-N
SMILES
C=Cc1ccc2c(n1)cccc2
Canonical SMILES
C=CC1=NC2=CC=CC=C2C=C1
Isomeric SMILES
C=CC1=NC2=CC=CC=C2C=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H9N
Heavy Atom Count
12
Molecular Weight
155.2
Exact Molecular Weight
155.0735
Valence Electrons
58
Radical Electrons
0
tPSA
12.89
MolLogP
2.8778
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
3.7811 -0.9172 -0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0564 -0.2158 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6200 -0.2197 -0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9376 -0.9735 -1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4619 -0.9248 -1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1554 -0.1502 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4326 0.5933 0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8980 0.5378 0.6678 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1322 1.3803 1.6057 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5088 1.4355 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2186 0.6855 0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5413 -0.0987 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3411 -1.5355 -1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8756 -0.9264 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5478 0.3952 0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3983 -1.6082 -1.8683 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0311 -1.5128 -1.8313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5605 1.9569 2.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0397 2.0621 2.3563 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3092 0.7243 0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0644 -0.6882 -0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
8 3 1 0
12 6 1 0
1 13 1 0
1 14 1 0
2 15 1 0
4 16 1 0
5 17 1 0
9 18 1 0
10 19 1 0
11 20 1 0
12 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers