Monomers

1-Isopropyl-3-methyl-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
3-methyl-1-propan-2-ylpyrrole-2,5-dione
InchI
InChI=1S/C8H11NO2/c1-5(2)9-7(10)4-6(3)8(9)11/h4-5H,1-3H3
InchI Key
CFQLUSSNTFQXIU-UHFFFAOYSA-N
SMILES
CC(N1C(=O)C=C(C1=O)C)C
Canonical SMILES
CC1=CC(=O)N(C1=O)C(C)C
Isomeric SMILES
CC1=CC(=O)N(C1=O)C(C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H11NO2
Heavy Atom Count
11
Molecular Weight
153.181
Exact Molecular Weight
153.079
Valence Electrons
60
Radical Electrons
0
tPSA
37.38
MolLogP
0.7099
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.2614   -0.2633    1.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5649    0.5047    0.2121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2254    0.0325    0.0712 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2451   -1.2580   -0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5515   -2.2138   -0.5610 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6886   -1.2285   -0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1088   -0.0179    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9393    0.8184    0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9834    2.0474    0.6330 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5400    0.3686    0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3712    0.3942   -1.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3442   -0.2889    1.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8337   -1.2846    1.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039    0.2755    2.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5891    1.5704    0.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3021   -2.0897   -0.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8282    0.3753    1.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1720   -0.3556   -0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7310    1.3593   -0.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2856    1.0331   -0.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7746    0.8703   -1.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6329   -0.6495   -1.3139 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
  7 10  1  0
  2 11  1  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  6 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
 11 20  1  0
 11 21  1  0
 11 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers