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
1.7814 1.9080 -1.4290 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1038 0.8486 -0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4688 0.3706 -0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5326 -0.7627 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1400 -1.0916 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8898 -2.1190 0.9652 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2500 -0.0936 -0.1634 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1702 -0.0252 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9232 0.8974 -0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3230 0.9716 -0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9679 0.1070 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2406 -0.8149 0.9794 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8400 -0.8840 0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3715 0.1716 0.4436 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3578 0.8702 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4234 -1.3321 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4635 1.5915 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9117 1.6991 -1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7275 -1.4973 1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2901 -1.6035 1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7185 0.7883 1.1819 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