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
    1.2004    0.8860   -2.4544 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5462    0.5561   -1.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7659   -0.2015   -1.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8373   -0.3812    0.2815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6947    0.2338    0.9464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4485    0.2525    2.1779 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8870    0.8222   -0.0508 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3503    1.5529    0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5274    0.6891   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4298   -0.6751   -0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5663   -1.4686   -0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8058   -0.8842   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9348    0.4731   -0.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7868    1.2416    0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9719   -1.1284    0.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859   -0.5543   -1.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724    2.3063   -0.7587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3837    2.1257    1.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826   -1.1915   -0.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5093   -2.5480   -0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6960   -1.5081   -0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8813    0.9565    0.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9079    2.3099    0.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8901   -0.8828    0.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7887   -2.2263    0.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179   -0.7555    1.9670 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