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
4.5549 0.3302 -0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5974 -0.5082 0.4628 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2345 -0.3569 0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4098 -1.2749 0.9755 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0324 -1.1869 0.9104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5630 -0.1441 0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2703 0.7700 -0.4184 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6398 0.6590 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9753 -0.0297 0.1164 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7850 0.6992 1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3587 1.3318 2.0185 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1965 0.5766 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2503 -0.1737 -0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8735 -0.5795 -0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5139 -1.2934 -1.8066 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4167 -0.3224 -0.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2038 0.9200 -0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0179 1.0359 0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8571 -2.0947 1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6139 -1.9209 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2063 1.5711 -0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2252 1.4001 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9937 1.0455 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1298 -0.4540 -1.0529 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