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
    0.2153   -1.9137    1.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1895   -1.1048   -0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4019   -0.3756   -0.2697 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3620   -0.5411   -1.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3049   -1.3621   -2.2797 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4386    0.3942   -1.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1785    1.0902    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9065    0.6474    0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3591    1.0933    1.6041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0260   -0.2246   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1317    0.7794   -1.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2340    1.6254   -1.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2274    1.4018   -0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1546    0.4069    0.7129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0411   -0.4187    0.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5650   -2.7070    1.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2241   -2.4156    1.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269   -1.2829    2.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0747   -1.8353   -0.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3109    0.4719   -1.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8565    1.8621    0.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3440    0.9585   -1.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2900    2.4067   -1.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0942    2.0450   -0.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9205    0.2149    1.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9209   -1.2165    1.4755 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