Monomers
1-(3-Methylphenyl)-1h-pyrrole-2,5-dione
Identifiers
IUPAC name
1-(3-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-7H,1H3
InchI Key
PRZFFHNZHXGTRC-UHFFFAOYSA-N
SMILES
Cc1cccc(c1)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.4244
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
23 24 0 0 0 0 0 0 0 0999 V2000
-3.2961 1.1645 -0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2095 0.2918 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5393 -0.7580 0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5368 -1.5663 1.3728 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2138 -1.3160 1.0293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1448 -0.2761 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8740 0.5211 -0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5115 -0.0471 -0.1287 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9960 0.5475 -1.3457 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2574 0.9483 -2.2888 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4487 0.5834 -1.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8734 0.0724 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6826 -0.3359 0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6680 -0.8713 1.7690 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4525 2.0673 0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9630 1.5028 -1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1998 0.5237 -0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5695 -0.9780 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7172 -2.4105 2.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5948 -1.9476 1.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6410 1.3401 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1168 0.9708 -2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9185 -0.0272 0.2216 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
5 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
7 2 1 0
13 8 1 0
1 15 1 0
1 16 1 0
1 17 1 0
3 18 1 0
4 19 1 0
5 20 1 0
7 21 1 0
11 22 1 0
12 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers