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
   -0.2744   -2.2867    0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2607   -1.0573   -0.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -0.2334   -0.2079 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8286    0.3909    1.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1645    0.2997    2.0953 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0659    1.1167    0.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4248    0.9551   -0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4445    0.1173   -1.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5076   -0.2135   -2.3575 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9866   -0.2645   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0630   -0.7377    0.4806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2124    0.0431    0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2796    1.2963    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1798    1.7452   -0.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0433    0.9951   -0.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2427   -2.8026    0.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5794   -2.9250    0.1097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1720   -2.0757    1.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2777   -1.3731   -1.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6030    1.6961    1.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3157    1.3788   -0.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -1.7189    0.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0340   -0.3585    1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    1.8890    0.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2405    2.7182   -1.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    1.4053   -1.3871 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