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
Resources
cid=

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
    1.6143   -1.4998    1.6311 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9437   -0.6577    0.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2881   -0.2752    0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405    0.6292   -0.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8123    0.8895   -0.9188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758    1.7136   -1.7965 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015    0.0940   -0.0725 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4192   -0.0039    0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0239   -1.1576   -0.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211   -2.2493   -1.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164   -1.2849   -0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1448   -0.2547    0.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5626    0.9062    0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1769    1.0218    0.5678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4382    2.2421    1.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1743   -0.6953    0.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0532    1.1078   -1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4360   -3.2495   -0.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5011   -2.2258   -2.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8352   -1.9821   -0.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8638   -2.2106   -0.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2320   -0.3328    0.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1115    1.7189    1.1193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    2.8553    1.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3506    2.8844    0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5559    2.0164    1.4393 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