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
    0.4002   -2.0452   -0.9956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3677   -0.9949    0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4782   -0.1192   -0.1155 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6868    0.7536   -1.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8612    0.8454   -2.1811 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9449    1.4170   -1.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4828    1.0084    0.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5884    0.0254    0.7551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7769   -0.5742    1.8476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9264   -0.3327    0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0018   -0.8752   -0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2522   -0.2429   -0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3991    0.9285    0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3300    1.4800    0.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0886    0.8368    0.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4791   -2.2492   -1.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0826   -2.9767   -0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0819   -1.5462   -1.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5059   -1.5352    1.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3663    2.1487   -1.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4278    1.3373    0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9503   -1.7912   -1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1098   -0.6424   -0.9898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3814    1.4220    0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4701    2.4002    1.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2921    1.3219    1.4121 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