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
3.6244 -0.8678 -0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1188 0.2414 -0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6898 0.3909 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1737 1.5633 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 1.6828 0.6439 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0599 0.6407 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5085 -0.5166 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8181 -0.6095 -0.3548 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3750 -1.5653 -0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7261 -1.4570 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2771 -0.3005 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4093 0.7445 0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6725 -0.9764 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9647 -1.6846 -1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7895 1.0651 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8339 2.3919 0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6215 2.5876 1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9584 -2.4712 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4088 -2.2979 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3429 -0.2224 0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8213 1.6608 1.0625 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