Monomers

1H-Pyrrole-2,5-dione, 1-(1-phenylethyl)-

Identifiers

IUPAC name
1-(1-phenylethyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(13)15/h2-9H,1H3
InchI Key
PWZXUQWQRVKGAH-UHFFFAOYSA-N
SMILES
CC(N1C(=O)C=CC1=O)c1ccccc1
Canonical SMILES
CC(C1=CC=CC=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC(C1=CC=CC=C1)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
1.6726
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
    0.2537   -1.7331   -1.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2619   -1.1706   -0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4169   -0.2775    0.0059 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180    0.8983   -0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0176    1.3765   -1.6665 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9718    1.4417   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4141    0.6694    0.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4616   -0.4331    0.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5715   -1.3599    1.8044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9691   -0.3847    0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9838    0.4249    1.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1018    1.1602    1.5283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1996    1.0836    0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1654    0.2712   -0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0608   -0.4773   -0.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0320   -0.9576   -2.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2451   -2.1890   -1.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5374   -2.5157   -1.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2951   -2.0011    0.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4279    2.3448   -0.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3146    0.8115    1.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0955    0.4680    1.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1508    1.8110    2.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0938    1.6593    0.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0172    0.1969   -1.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267   -1.1178   -1.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  2 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  8  3  1  0
 15 10  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  6 20  1  0
  7 21  1  0
 11 22  1  0
 12 23  1  0
 13 24  1  0
 14 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers