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
2.0155 -2.0448 0.5282 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2141 -0.8131 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5336 -0.1989 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4409 1.0945 0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0198 1.3808 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5084 2.5054 -0.3522 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2469 0.1974 0.0551 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1576 0.0013 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8479 0.4533 -1.1344 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2198 0.2751 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9487 -0.3475 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2629 -0.7957 0.8687 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8955 -0.6208 0.9703 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3298 -0.5243 -0.3419 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4608 -0.7134 0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2777 1.8093 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2758 0.9483 -1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7682 0.6216 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8090 -1.2960 1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3281 -0.9634 1.8374 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8744 -0.9691 0.3601 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