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
3.3066 1.1082 -0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1894 0.1744 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4535 -1.0970 0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4433 -1.9964 0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1354 -1.5920 0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1568 -0.3244 0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8784 0.5491 -0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4966 0.0571 -0.1188 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3163 0.7020 0.8606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9156 1.0058 2.0339 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6303 0.9353 0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6489 0.4779 -0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3416 -0.0829 -1.2574 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9759 -0.6164 -2.3505 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1656 0.7891 0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6533 1.0446 -1.3185 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9713 2.1404 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4969 -1.4259 0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6792 -3.0101 1.0607 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6315 -2.3326 0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6817 1.5627 -0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4434 1.4133 0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4978 0.5178 -1.6069 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