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
   -0.3346   -0.3975    2.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2573    0.4941    1.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3993    0.2862    0.2595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3875    1.2504   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4159    2.4540    0.3007 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3508    0.5731   -0.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9693   -0.6826   -1.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7455   -0.9543   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0733   -2.0103   -0.2834 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9587    0.2331    0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0251   -0.5122    0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1531   -0.7475   -0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330   -0.2296   -1.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1732    0.5225   -1.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636    0.7393   -1.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -1.4371    2.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2486    0.0372    3.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3965   -0.4301    2.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2418    1.5383    1.4432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2316    1.0745   -1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4901   -1.4274   -1.6972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9566   -0.9175    1.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9915   -1.3466    0.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0802   -0.3893   -1.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2084    0.9424   -2.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2290    1.3367   -1.4041 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