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
    0.0106    1.9626    1.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0212    1.2331   -0.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2909    0.6423   -0.3859 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1104    0.8643   -1.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8358    1.6296   -2.4779 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3252    0.0734   -1.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2337   -0.5868   -0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9887   -0.2845    0.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839   -0.7374    1.5422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0225    0.1296    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9549    0.0809    1.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8741   -0.9445    1.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022   -1.9648    0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9735   -1.9236   -0.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0604   -0.9004   -0.9176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0195    1.2722    2.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9039    2.5826    1.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9198    2.6160    1.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3144    1.9100   -0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1635    0.0272   -2.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151   -1.2606    0.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9540    0.8760    1.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5877   -0.9502    1.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6356   -2.7787    0.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9631   -2.7072   -1.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8611   -1.7122 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