Monomers

1-benzyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-benzyl-3-methylpyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InchI Key
KOQFJKQRPZRORH-UHFFFAOYSA-N
SMILES
O=C1C=C(C(=O)N1Cc1ccccc1)C
Canonical SMILES
CC1=CC(=O)N(C1=O)CC2=CC=CC=C2
Isomeric SMILES
CC1=CC(=O)N(C1=O)CC2=CC=CC=C2
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
1.5017
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
   -0.9134   -2.6352   -0.9364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4104   -1.5726   -0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6937   -0.9423   -0.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8881    0.1375   -0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.3016    0.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5511    1.2201    1.6065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8075   -0.7679    0.5644 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4547   -0.9487    1.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5770   -0.2965    0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2969   -0.9924   -0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3673   -0.4490   -1.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6989    0.8527   -0.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833    1.5535    0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9128    1.0032    0.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0676    1.0538   -0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3745   -1.3502   -1.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4184   -0.5561    2.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6093   -2.0531    1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0479   -2.0310   -0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9351   -0.9929   -1.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5280    1.3483   -1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2441    2.5942    0.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3706    1.5881    1.6261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6871    2.1131   -0.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6490    0.9099   -1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6687    0.9121    0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  4 15  1  0
  7  2  1  0
 14  9  1  0
  3 16  1  0
  8 17  1  0
  8 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 13 22  1  0
 14 23  1  0
 15 24  1  0
 15 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers