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
3.4062 -0.0757 1.5045 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0741 -0.3959 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6656 -0.3099 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 -0.6426 -1.4419 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0280 -0.5419 -1.7989 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9419 -0.1135 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5499 0.2148 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7490 0.1057 0.7239 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4734 0.6535 1.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8042 0.7610 1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1933 0.4326 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3006 0.0058 -1.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6528 0.2568 2.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4189 -0.1234 1.8723 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8318 -0.7221 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0426 -0.9706 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3829 -0.7898 -2.7943 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1152 0.8997 2.3592 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5510 1.1031 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2415 0.5164 -0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5583 -0.2641 -2.1986 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