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
-3.8214 -0.0124 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4410 0.4074 -0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3838 -0.4492 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6908 -1.6530 0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7284 -2.4626 1.3514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5793 -2.0272 1.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9795 -0.8352 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0555 -0.0769 0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2447 1.1917 -0.3457 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0417 2.4089 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4220 2.4726 1.6072 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4882 3.4930 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9152 3.0045 -1.5886 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7669 1.5600 -1.5622 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1175 0.8830 -2.6064 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3942 -0.4272 0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1138 -1.0885 1.8215 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1190 -1.0185 -0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4990 -0.0273 -1.8801 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8091 -0.1471 1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2464 -0.8633 -0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4843 0.8648 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2494 1.4619 -0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7532 -1.9532 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0036 -3.3918 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3463 -2.6835 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4842 4.5582 -0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2931 3.6541 -2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6069 0.6119 0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4961 -0.7991 2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2727 -2.1542 1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0751 -0.5128 1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5602 -1.0444 -1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0556 -0.4580 -0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3359 -2.0901 -0.2826 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4380 0.4028 -2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6053 -1.1372 -1.8599 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6551 0.3377 -2.4509 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