Monomers
1-(4-Hydroxyphenyl)-1H-pyrrole-2,5-dione
Identifiers
IUPAC name
1-(4-hydroxyphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
InchI Key
BLLFPKZTBLMEFG-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)O
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)O
Isomeric SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H7NO3
Heavy Atom Count
14
Molecular Weight
189.17
Exact Molecular Weight
189.0426
Valence Electrons
70
Radical Electrons
0
tPSA
57.61
MolLogP
0.8216
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1
MOL File
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
1.7847 -1.8204 1.5455 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1035 -0.8780 0.7949 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5354 -0.5037 0.5804 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5339 0.5238 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1759 0.8602 -0.6311 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8574 1.7867 -1.4153 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2640 -0.0222 0.0358 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1629 -0.0477 -0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8417 0.5330 -1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2401 0.5329 -1.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9809 -0.0663 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3333 -0.6548 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9260 -0.6442 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3927 -0.0839 -0.2379 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4109 -0.9610 1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4625 1.0139 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2731 1.0088 -1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7451 0.9953 -1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8797 -1.1308 1.6694 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4056 -1.1063 1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9472 0.6648 0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
11 14 1 0
7 2 1 0
13 8 1 0
3 15 1 0
4 16 1 0
9 17 1 0
10 18 1 0
12 19 1 0
13 20 1 0
14 21 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers