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
    0.1078   -0.9353   -2.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1589   -0.9636   -0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   -0.4301   -0.1018 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9282    0.8859   -0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    1.8342   -0.9078 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2083    0.9747    0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4643   -0.1939    0.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3814   -1.1247    0.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3332   -2.2999    1.0561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0115   -0.2508   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830    0.0275    1.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1621    0.6825    1.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2011    1.0745    1.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1205    0.7934   -0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0469    0.1393   -0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0446   -1.4076   -2.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7303   -1.5818   -2.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0662    0.0781   -2.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0807   -2.0204   -0.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    1.8692    0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3862   -0.3769    1.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345   -0.2980    1.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1914    0.8880    2.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0628    1.5986    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9524    1.1114   -0.9042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0108   -0.0743   -1.9115 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