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
4.1239 -0.4164 0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7687 0.0971 0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4709 1.3512 -0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0233 1.4674 -0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4034 2.5009 -0.7379 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4478 0.1757 -0.2886 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5218 -0.6848 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3706 -1.9168 0.2756 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9328 -0.1233 -0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3894 -0.5828 -1.7059 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7112 -0.8844 -1.9304 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5952 -0.7158 -0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1521 -0.2575 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8289 0.0381 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3270 0.5296 1.8699 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9099 0.1137 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2281 -1.5083 0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3072 -0.3191 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2054 2.1621 -0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6678 -0.7007 -2.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0743 -1.2383 -2.8903 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6418 -0.9419 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8744 -0.1356 1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1600 0.8974 2.4984 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6488 1.3882 1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7772 -0.2957 2.3609 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