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
1.9640 1.6260 1.3676 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2060 0.6338 0.6218 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5317 0.0923 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4195 -0.9468 -0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9900 -1.1395 -0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4930 -2.0198 -1.4977 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2429 -0.1509 -0.0748 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1650 0.0301 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9387 -0.9152 0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3067 -0.7691 0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9672 0.2872 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1693 1.2182 -0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7961 1.0902 -0.6933 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3562 0.4221 0.0601 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4743 0.4844 0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2439 -1.5350 -0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4424 -1.7415 1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9056 -1.4931 1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6311 2.0647 -1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1540 1.7955 -1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7328 0.9665 0.8535 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