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
3.2669 0.9990 0.8828 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1736 0.2167 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5497 -0.8781 -0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5923 -1.6815 -1.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2719 -1.3309 -0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1268 -0.2428 -0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8300 0.5447 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5158 0.0693 -0.0673 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5473 -0.8321 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3214 -2.0242 0.6983 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8341 -0.1501 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6065 1.0709 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1912 1.2924 -0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6404 2.3470 -0.7340 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9625 2.0318 1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6002 0.4448 1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1588 1.0529 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5691 -1.1540 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8667 -2.5410 -1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4864 -1.9357 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5818 1.4101 1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7996 -0.5561 0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3541 1.8468 -0.1355 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