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
   -1.0646    0.0997   -2.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4935   -0.6294   -0.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3557   -0.5115    0.2802 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7339    0.6793    0.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3803    1.8590    0.6520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988    0.2861    2.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7710   -1.0240    2.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9993   -1.5629    0.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9393   -2.7960    0.7374 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8745   -0.1037   -0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4864   -0.4482    0.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7546    0.0486    0.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4068    0.8866    0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7833    1.2234   -1.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5277    0.7353   -1.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4978   -0.2142   -2.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9720    1.1973   -1.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1029   -0.2393   -2.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4138   -1.7051   -1.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0718    0.9477    2.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3747   -1.5856    2.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9593   -1.1074    1.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2440   -0.2143    1.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4010    1.2969    0.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2993    1.8816   -1.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0323    0.9999   -2.3589 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