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
    0.5099   -0.9827   -2.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2979    0.1800   -1.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4369    0.2935   -0.1725 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3647    1.3765   -0.0751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    2.4210   -0.8059 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3157    1.0513    0.9594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0444   -0.1350    1.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8631   -0.6473    0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2903   -1.7500    1.0314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9768    0.0778   -0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9279   -0.8457   -0.7359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1353   -0.9329   -0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3638   -0.0765    1.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218    0.8608    1.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2390    0.9095    0.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2169   -1.9468   -1.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950   -1.0294   -2.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1087   -0.8610   -2.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2769    1.0966   -1.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1373    1.6851    1.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6217   -0.5883    2.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759   -1.5186   -1.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9060   -1.6442   -0.3050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958   -0.1390    1.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292    1.5158    2.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    1.6296    0.9812 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