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
   -0.5069   -2.2259   -0.1860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3464   -0.9188    0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4519   -0.0443    0.2847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8030    0.5110   -0.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1608    0.2975   -2.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0024    1.3454   -0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3666    1.3045    0.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4256    0.4442    1.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4925    0.1988    2.4317 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9620   -0.3044    0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    0.9991    0.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4387    1.5752    0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3988    0.8521   -0.3415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1739   -0.4375   -0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9378   -1.0113   -0.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2892   -2.0685   -1.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5873   -2.4885   -0.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103   -3.0096    0.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3114   -1.1992    1.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4983    1.8923   -1.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2269    1.8384    0.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4848    1.6101    1.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763    2.5940    0.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3783    1.2761   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9437   -1.0073   -1.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7569   -2.0232   -0.6876 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