Monomers
1-(3-Methylphenyl)-1h-pyrrole-2,5-dione
Identifiers
IUPAC name
1-(3-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-7H,1H3
InchI Key
PRZFFHNZHXGTRC-UHFFFAOYSA-N
SMILES
Cc1cccc(c1)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC(=CC=C1)N2C(=O)C=CC2=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.4244
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1
MOL File
RDKit 3D
23 24 0 0 0 0 0 0 0 0999 V2000
-3.4340 -0.6547 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1521 0.0681 0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1767 1.1652 1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9734 1.8128 1.5946 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2063 1.3599 0.9944 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2307 0.2607 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9845 -0.3673 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4211 -0.2038 -0.4663 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7323 -1.4891 -0.9817 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9773 -2.4821 -0.9890 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0951 -1.4779 -1.5143 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5904 -0.2755 -1.3427 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5965 0.5611 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7821 1.7834 -0.3956 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8580 -0.4200 -0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1790 -0.4364 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2129 -1.7489 0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0876 1.5169 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9385 2.6751 2.2439 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1362 1.8823 1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9655 -1.2379 -0.7377 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6233 -2.3285 -1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5709 0.0366 -1.6336 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
7 2 1 0
13 8 1 0
1 15 1 0
1 16 1 0
1 17 1 0
3 18 1 0
4 19 1 0
5 20 1 0
7 21 1 0
11 22 1 0
12 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers