Monomers
1H-Pyrrole-2,5-dione, 1-(2,6-dimethylphenyl)-
Identifiers
IUPAC name
1-(2,6-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(13)15/h3-7H,1-2H3
InchI Key
VMDQUQBEIFMAIC-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1c(C)cccc1C
Canonical SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.7328
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
26 27 0 0 0 0 0 0 0 0999 V2000
1.9606 -0.3652 -1.9048 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0445 -0.4431 -0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2452 -0.7495 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9399 -0.7425 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5082 -0.4276 1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8766 -0.3379 2.6193 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9597 -0.2434 0.2394 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3901 0.0746 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7157 1.4101 -0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3060 2.4873 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0215 1.7022 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9818 0.7293 -0.7635 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6512 -0.6084 -0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3450 -0.9027 -0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9693 -2.3262 -0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2178 -0.9464 -0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5967 -0.9288 2.2614 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9860 2.2193 0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1802 3.4378 0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9606 2.6063 -0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2694 2.7626 -0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0039 0.9897 -1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3764 -1.3998 -0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6759 -2.7856 0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0850 -2.7989 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0637 -2.4131 0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
9 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
7 2 1 0
14 8 1 0
3 16 1 0
4 17 1 0
10 18 1 0
10 19 1 0
10 20 1 0
11 21 1 0
12 22 1 0
13 23 1 0
15 24 1 0
15 25 1 0
15 26 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers