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
-2.9384 1.8753 0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1198 0.6871 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6877 -0.4757 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9368 -1.5767 -0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5572 -1.5130 -0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0662 -0.3832 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7284 0.6983 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4896 -0.3002 0.1051 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4017 -1.4118 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1292 -2.6347 0.0126 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7322 -0.8377 0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6870 0.4758 0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2715 0.8754 0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8839 2.0677 0.3056 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8925 1.8749 -0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1514 1.8817 1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3880 2.7891 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7541 -0.5173 -0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3698 -2.5030 -1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0181 -2.3772 -0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3253 1.6284 0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6339 -1.4607 0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5360 1.1375 0.5172 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