Monomers

3-Methyl-1-(2-methylpropyl)pyrrole-2,5-dione

Identifiers

IUPAC name
3-methyl-1-(2-methylpropyl)pyrrole-2,5-dione
InchI
InChI=1S/C9H13NO2/c1-6(2)5-10-8(11)4-7(3)9(10)12/h4,6H,5H2,1-3H3
InchI Key
JRZCAEFRXXFWLI-UHFFFAOYSA-N
SMILES
CC(CN1C(=O)C=C(C1=O)C)C
Canonical SMILES
CC1=CC(=O)N(C1=O)CC(C)C
Isomeric SMILES
CC1=CC(=O)N(C1=O)CC(C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H13NO2
Heavy Atom Count
12
Molecular Weight
167.208
Exact Molecular Weight
167.0946
Valence Electrons
66
Radical Electrons
0
tPSA
37.38
MolLogP
0.9575
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

 25 25  0  0  0  0  0  0  0  0999 V2000
   -2.1230   -1.0135    0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8107    0.4650    0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9499    0.8022   -0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3267    0.1350   -0.6885 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7162   -1.1208   -1.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0593   -1.9021   -1.8556 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1182   -1.3649   -0.9682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6060   -0.3414   -0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5339    0.6143   -0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6051    1.7344    0.5002 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9952   -0.1466    0.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1103    1.2323    0.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9626   -1.1740    1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2369   -1.5375    0.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3496   -1.4616   -0.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3291    0.8088    1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7577    1.8948   -0.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5207    0.6237   -1.6364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6959   -2.2569   -1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5552    0.3525   -0.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4296   -1.1535    0.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667    0.4590    1.0956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9895    0.5761    0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2144    1.6642   -0.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1352    2.1104    1.0447 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  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
  2 12  1  0
  9  4  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  7 19  1  0
 11 20  1  0
 11 21  1  0
 11 22  1  0
 12 23  1  0
 12 24  1  0
 12 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers