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
4.3974 1.0255 -0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6949 -0.0542 -0.1789 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3114 -0.1129 -0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4989 0.9335 -0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1214 0.8935 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5125 -0.2162 0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3050 -1.2426 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6788 -1.2119 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9264 -0.2890 0.2651 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8713 -0.0606 -0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5654 0.2471 -1.9560 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2179 -0.2359 -0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1538 -0.5600 1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7330 -0.6000 1.3997 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2817 -0.8712 2.5384 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3928 1.9281 -0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4422 0.6784 -0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9731 1.2322 -1.7214 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9643 1.8266 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4820 1.7235 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1876 -2.1156 0.9913 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3253 -2.0221 0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1779 -0.1426 -0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9959 -0.7537 1.7129 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