Monomers
1H-Pyrrole-2,5-dione, 1-(2,6-dimethylphenyl)-
Identifiers
IUPAC name
1-(2,6-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(13)15/h3-7H,1-2H3
InchI Key
VMDQUQBEIFMAIC-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1c(C)cccc1C
Canonical SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.7328
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
26 27 0 0 0 0 0 0 0 0999 V2000
1.2711 1.6090 1.9099 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6955 0.9696 0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0945 1.0136 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2233 0.2509 -0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9287 -0.3239 -0.9725 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7661 -1.0915 -1.9775 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9945 0.1449 -0.0253 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3867 -0.1179 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2186 0.9916 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6324 2.3394 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5688 0.7627 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1156 -0.4855 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2492 -1.5378 0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8572 -1.3904 0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0397 -2.5610 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9130 1.5598 0.9838 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1664 0.1007 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7501 3.0307 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2261 2.7846 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4003 2.2853 -0.8104 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2296 1.6071 -0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2089 -0.6322 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6258 -2.5233 0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7404 -2.4287 1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4822 -2.9646 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6469 -3.3931 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
9 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
7 2 1 0
14 8 1 0
3 16 1 0
4 17 1 0
10 18 1 0
10 19 1 0
10 20 1 0
11 21 1 0
12 22 1 0
13 23 1 0
15 24 1 0
15 25 1 0
15 26 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers