Monomers
3-Methyl-1-(2-methylphenyl)pyrrole-2,5-dione
Identifiers
IUPAC name
3-methyl-1-(2-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-5-3-4-6-10(8)13-11(14)7-9(2)12(13)15/h3-7H,1-2H3
InchI Key
HGGWGNOOIKZWES-UHFFFAOYSA-N
SMILES
CC1=CC(=O)N(C1=O)c1ccccc1C
Canonical SMILES
CC1=CC=CC=C1N2C(=O)C=C(C2=O)C
Isomeric SMILES
CC1=CC=CC=C1N2C(=O)C=C(C2=O)C
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
1.8145
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
3.9761 -0.8980 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6828 -0.2356 0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4848 0.6363 1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0876 1.0683 1.5078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5867 1.8937 2.3168 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4384 0.4117 0.4125 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4430 -0.4037 -0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3179 -1.1574 -1.1586 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9185 0.5811 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4867 1.8032 -0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 1.9463 -0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5926 0.8108 -0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0487 -0.4131 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7253 -0.5347 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1503 -1.8573 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2094 -1.5734 1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7982 -0.1440 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0009 -1.4398 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2487 0.9342 2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8158 2.6744 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2185 2.9152 -0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6195 0.9564 -0.9673 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6757 -1.2892 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2747 -1.7999 0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0084 -2.4977 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9427 -2.3876 0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
7 2 1 0
14 9 1 0
1 16 1 0
1 17 1 0
1 18 1 0
3 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