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
-3.2525 -1.1897 -0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2201 -0.2350 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6070 0.9375 0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6384 1.8004 0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2884 1.4965 0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1283 0.3282 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8643 -0.5288 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5032 -0.0015 0.0246 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1422 -1.2688 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5682 -2.3792 0.1493 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5744 -1.1141 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8027 0.1773 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5607 0.9263 -0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4909 2.1825 -0.2219 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7914 -0.8016 -1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7205 -2.1189 -1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9065 -1.5110 0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6384 1.2042 0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9354 2.7415 1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4866 2.1578 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5342 -1.4449 -0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3231 -1.9226 -0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8170 0.5639 -0.4241 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