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
1.6962 1.4792 -1.5526 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1075 0.7213 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5086 0.4851 -0.2627 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -0.3790 0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1064 -0.7434 1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7899 -1.5545 2.0184 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2560 -0.0441 0.2076 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1520 -0.0851 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9029 0.9514 0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2579 0.9762 0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9367 -0.0561 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2561 -1.1072 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8720 -1.1020 -0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3295 0.0325 0.1440 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3949 0.9202 -0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3819 -0.7667 1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3385 1.7643 1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7618 1.8240 1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8401 -1.8973 -0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3544 -1.9368 -0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7394 0.5181 -0.6661 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