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
4.5861 0.0109 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5419 -0.8273 0.1679 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1944 -0.5446 0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2917 -1.4957 0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0559 -1.2656 0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5513 -0.0621 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3455 0.8795 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7115 0.6399 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9729 0.1572 0.0403 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7656 0.6443 -1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3216 0.9800 -2.1752 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1728 0.6958 -0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2148 0.2627 0.6586 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8804 -0.0918 1.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5503 -0.5296 2.2521 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4384 -0.1274 0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9472 -0.4052 -1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3499 1.0695 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6232 -2.4529 0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7967 -1.9716 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0233 1.8192 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4013 1.3851 -0.7237 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9809 1.0324 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1449 0.1969 1.2152 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