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
    1.0221   -1.6490    2.1548 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4694   -0.8575    1.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7140   -1.0094    0.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8853   -0.0109   -0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293    0.8735   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388    1.9374   -0.7869 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8527    0.3528    0.8312 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4054    0.8741    1.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    0.3686    0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0536    1.0211   -0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1302    0.5401   -1.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7577   -0.6186   -0.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2856   -1.2885    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2026   -0.8034    0.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0379    0.1881   -1.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4279   -1.8409    0.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4305    2.0028    1.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5424    0.6480    2.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517    1.9442   -0.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4952    1.0740   -2.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6036   -0.9868   -1.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7880   -2.2039    0.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8388   -1.3369    1.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636    0.7362   -2.1499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154    0.8318   -0.7962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4912   -0.7868   -1.5301 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