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
-3.2730 1.0898 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2261 0.2204 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5320 -0.8311 0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5498 -1.6130 1.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2299 -1.3669 1.2214 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1289 -0.2925 0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8757 0.4784 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5014 -0.0181 0.1443 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2782 -0.3741 -0.9946 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8858 -0.9974 -1.9877 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6635 0.1135 -0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7189 0.7380 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4107 0.6778 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1291 1.1662 2.0997 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3104 1.0082 -1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1366 2.1384 -0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2574 0.7547 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5998 -1.0226 1.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8132 -2.4467 2.0931 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5890 -1.9464 1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5926 1.3112 -0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4824 -0.0010 -1.5219 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6084 1.2135 0.7781 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