Monomers
N-(2,6-diisopropylphenyl)maleimide
Identifiers
IUPAC name
1-[2,6-di(propan-2-yl)phenyl]pyrrole-2,5-dione
InchI
InChI=1S/C16H19NO2/c1-10(2)12-6-5-7-13(11(3)4)16(12)17-14(18)8-9-15(17)19/h5-11H,1-4H3
InchI Key
UUOHWLHXGPZSBK-UHFFFAOYSA-N
SMILES
CC(c1cccc(c1N1C(=O)C=CC1=O)C(C)C)C
Canonical SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C=CC2=O
Isomeric SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C=CC2=O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C16H19NO2
Heavy Atom Count
19
Molecular Weight
257.333
Exact Molecular Weight
257.1416
Valence Electrons
100
Radical Electrons
0
tPSA
37.38
MolLogP
3.3628
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1
MOL File
RDKit 3D
38 39 0 0 0 0 0 0 0 0999 V2000
3.3022 0.7225 -1.6938 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2869 0.7295 -0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1863 -0.2223 -0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3795 -1.1933 -1.8272 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3948 -2.1186 -2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7643 -2.0431 -1.3522 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9827 -1.1011 -0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0166 -0.1875 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1707 0.8065 0.8760 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4558 2.1782 0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5818 2.7244 -0.5734 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5886 2.8916 1.8041 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4069 2.0607 2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1403 0.7339 2.2737 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0824 -0.3079 2.9381 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2420 -1.0184 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1523 -2.2069 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0138 0.2374 0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0858 0.2485 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9422 -0.1779 -1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9730 1.5927 -1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8159 0.8040 -2.6882 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9567 1.7563 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3106 -1.1938 -2.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5418 -2.8605 -2.8655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5561 -2.7663 -1.5465 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8111 3.9600 1.8964 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4625 2.3710 3.8775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0936 -1.0503 1.4954 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0427 -2.1675 0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4013 -2.0867 -1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5497 -3.1266 0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0622 0.9760 0.8598 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5539 0.6762 -0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0648 -0.0220 -0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0350 0.9862 1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1529 0.1036 0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6344 -0.7086 1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 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
7 16 1 0
16 17 1 0
16 18 1 0
2 19 1 0
8 3 1 0
14 9 1 0
1 20 1 0
1 21 1 0
1 22 1 0
2 23 1 0
4 24 1 0
5 25 1 0
6 26 1 0
12 27 1 0
13 28 1 0
16 29 1 0
17 30 1 0
17 31 1 0
17 32 1 0
18 33 1 0
18 34 1 0
18 35 1 0
19 36 1 0
19 37 1 0
19 38 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers