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
    0.3467   -0.9732   -2.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1099   -1.0326   -0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2844   -0.6591    0.2145 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715    0.5843    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6178    1.5790   -0.4549 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1157    0.4660    1.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1216   -0.7470    1.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9903   -1.5001    1.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7676   -2.7044    1.4312 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0076   -0.0977   -0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7937    0.4108   -1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8350    1.2824   -0.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0753    1.6358    0.3425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2795    1.1184    1.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2515    0.2587    1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4845    0.0428   -2.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3099   -1.5198   -2.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359   -1.5575   -2.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1669   -2.0850   -0.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7956    1.3048    1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8641   -1.0972    2.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5740    0.1109   -2.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4209    1.6529   -1.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8775    2.3089    0.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4520    1.3832    2.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6099   -0.1650    1.8285 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