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
   -0.3231   -1.8950   -1.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3144   -0.4720   -0.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4928   -0.0628   -0.1600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0472   -0.5931    1.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6525   -1.5815    1.7412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2133    0.1930    1.3547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4347    1.1534    0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3705    1.0375   -0.5026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2601    1.8075   -1.5047 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9797   -0.0362   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0534    0.2257   -1.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2808    0.6492   -0.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4260    0.8114    0.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3878    0.5609    1.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1341    0.1277    1.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3820   -2.2097   -1.4159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713   -2.5897   -0.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1364   -1.9820   -2.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3371    0.1641   -1.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8607    0.0323    2.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2278    1.9037    0.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    0.0906   -2.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0942    0.8469   -1.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4048    1.1479    1.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374    0.6994    2.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3911   -0.0293    1.8319 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