Monomers
2-(4-Ethenylphenyl)-1H-isoindole-1,3(2H)-dione
Identifiers
IUPAC name
2-(4-ethenylphenyl)isoindole-1,3-dione
InchI
InChI=1S/C16H11NO2/c1-2-11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)16(17)19/h2-10H,1H2
InchI Key
ZHPCYNZIRCYKOJ-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)N1C(=O)c2c(C1=O)cccc2
Canonical SMILES
C=CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O
Isomeric SMILES
C=CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C16H11NO2
Heavy Atom Count
19
Molecular Weight
249.269
Exact Molecular Weight
249.079
Valence Electrons
92
Radical Electrons
0
tPSA
37.38
MolLogP
3.1302
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
2
MOL File
RDKit 3D
30 32 0 0 0 0 0 0 0 0999 V2000
5.8510 -0.2914 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9779 -0.5575 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5479 -0.3627 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9929 0.2883 -0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6055 0.4238 -0.9842 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7660 -0.0934 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3021 -0.7548 1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6888 -0.8870 1.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6371 0.0343 -0.1351 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3853 1.2634 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9178 2.4178 0.0139 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7969 0.9474 -0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8858 -0.4328 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5469 -1.0338 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2658 -2.2378 -0.3510 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1064 -1.0162 -0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2442 -0.2252 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1948 1.1528 -0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9392 1.7112 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9122 -0.4308 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5087 0.0808 -1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3880 -0.9332 1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6331 0.7112 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2554 0.9490 -1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 -1.1854 1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1555 -1.3892 2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1869 -2.0871 -0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2281 -0.6536 -0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0656 1.7825 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9141 2.8091 -0.2136 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
6 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
13 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
8 3 1 0
14 9 1 0
19 12 1 0
1 20 1 0
1 21 1 0
2 22 1 0
4 23 1 0
5 24 1 0
7 25 1 0
8 26 1 0
16 27 1 0
17 28 1 0
18 29 1 0
19 30 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers