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
3.6286 0.6759 0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0771 -0.4608 0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6167 -0.5304 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0141 -1.7291 -0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3709 -1.7867 -0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1114 -0.6418 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4797 0.5338 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8399 0.5253 0.2160 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1665 1.7008 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5394 1.7387 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1842 0.5764 -0.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4854 -0.5946 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0286 1.5448 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6898 0.7327 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6737 -1.3489 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6264 -2.6150 -0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8760 -2.7058 -0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6119 2.6034 0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0935 2.6522 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2547 0.6178 -0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0213 -1.4888 -0.6759 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