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
    0.3853   -2.2859    0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -0.8394    0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4768   -0.0654    0.2643 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2465    0.7080    1.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9541    0.8522    2.4489 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3913    1.2894    0.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3652    0.9250   -0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1938    0.0757   -0.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9506   -0.4028   -2.0875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9817   -0.1906    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1261   -0.3475    0.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3383    0.2172    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4879    0.9795   -0.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3755    1.1423   -1.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1423    0.5665   -1.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8578   -2.5087   -0.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6352   -2.7048    0.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9567   -2.7990    1.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1877   -0.7809    1.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1405    1.9159    1.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1147    1.2196   -1.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051   -0.9572    1.8005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1958    0.0719    1.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4456    1.4275   -0.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4486    1.7376   -2.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3432    0.7539   -1.6994 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