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
   -2.2025   -0.8496   -0.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7646    0.0499    0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3454   -0.1230    0.4812 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3536   -0.4998    1.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1453   -0.7671    2.7692 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7836   -0.5282    1.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9748   -0.1977    0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6731    0.0707   -0.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4874    0.4158   -1.7250 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2863   -0.1152   -0.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0455    1.5118   -0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5850   -0.2790   -1.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735   -1.5432   -1.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0039   -1.5089   -0.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2748   -0.1715    1.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683   -0.7857    2.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0389    0.4167    0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6598   -1.1648   -0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2315    0.4624   -1.5524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0760    1.7713    0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3233    2.1070    0.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9175    1.7280   -1.1385 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