Monomers
1-(4-Methoxyphenyl)-1H-pyrrole-2,5-dione
Identifiers
IUPAC name
1-(4-methoxyphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO3/c1-15-9-4-2-8(3-5-9)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
XAHCEMQKWSQGLQ-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)N1C(=O)C=CC1=O
Canonical SMILES
COC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
COC1=CC=C(C=C1)N2C(=O)C=CC2=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H9NO3
Heavy Atom Count
15
Molecular Weight
203.197
Exact Molecular Weight
203.0582
Valence Electrons
76
Radical Electrons
0
tPSA
46.61
MolLogP
1.1246
H Bond Acceptors
3
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
24 25 0 0 0 0 0 0 0 0999 V2000
4.4851 0.0193 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5370 0.8354 0.5232 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2050 0.5764 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 -0.4749 -0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4017 -0.7436 -0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5592 0.0479 0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0777 1.0930 0.8828 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2675 1.3761 1.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9370 -0.2601 -0.0376 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8947 -0.7189 0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6494 -0.9245 2.1431 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1986 -0.9008 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0642 -0.5826 -1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6807 -0.1788 -1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2601 0.1799 -2.3803 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4882 0.4564 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2648 -0.1492 -1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4728 -0.9664 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4975 -1.0909 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0420 -1.5684 -1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7734 1.7459 1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6396 2.2015 1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0985 -1.2420 0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8556 -0.6181 -1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 1 0
10 11 2 0
10 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
8 3 1 0
14 9 1 0
1 16 1 0
1 17 1 0
1 18 1 0
4 19 1 0
5 20 1 0
7 21 1 0
8 22 1 0
12 23 1 0
13 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers