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
-3.3757 0.7201 0.6626 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2070 0.1113 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4274 -0.6639 -1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3581 -1.2173 -1.8572 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0719 -0.9899 -1.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1798 -0.2252 -0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9193 0.3171 0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5041 0.0030 0.2042 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2355 -0.7229 1.1815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8094 -1.7443 1.8225 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5671 -0.1018 1.3333 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6551 0.9348 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4010 1.0507 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0577 1.8976 -1.1041 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9778 1.3989 1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9906 1.3239 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9629 -0.0941 1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4573 -0.8049 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5400 -1.8152 -2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7702 -1.4285 -1.9122 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7431 0.9115 1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3391 -0.4444 2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5121 1.5833 0.3997 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