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
    0.2469   -2.1526    0.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1969   -0.6569    0.9182 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4026   -0.0091    0.4645 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9883   -0.0435   -0.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4797   -0.6880   -1.8020 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1821    0.7586   -0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3317    1.2495    0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2362    0.8022    1.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0960    1.1040    2.5034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0072   -0.1547    0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9718   -1.0118   -0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735   -0.4897   -0.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1767    0.8754   -1.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2158    1.7394   -0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1209    1.2254    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6022   -2.5816    1.3661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1621   -2.5838    1.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1305   -2.4253   -0.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445   -0.4143    1.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8354    0.9076   -1.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523    1.8871    0.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8737   -2.0951   -0.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8222   -1.1900   -1.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0220    1.2947   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2576    2.8064   -0.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3416    1.8462    0.4042 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