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
3.3582 1.0645 0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2283 0.1293 0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4507 -1.2143 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4198 -2.1201 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1392 -1.6689 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1609 -0.3232 0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9059 0.5330 0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5187 0.1006 0.2077 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5755 -0.3991 1.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4576 -1.3414 1.8450 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8007 0.3546 0.7576 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5206 1.2669 -0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0965 1.1525 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5320 1.8865 -1.4187 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3032 0.4700 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3565 1.5840 1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4234 1.7580 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4698 -1.5850 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5841 -3.1612 -0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7135 -2.3198 -0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7121 1.5905 0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7875 0.2444 1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1877 1.9982 -0.6143 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