Monomers

1-Hexylpyrrole-2,5-dione

Identifiers

IUPAC name
1-hexylpyrrole-2,5-dione
InchI
InChI=1S/C10H15NO2/c1-2-3-4-5-8-11-9(12)6-7-10(11)13/h6-7H,2-5,8H2,1H3
InchI Key
FBPVUBVZRPURIU-UHFFFAOYSA-N
SMILES
CCCCCCN1C(=O)C=CC1=O
Canonical SMILES
CCCCCCN1C(=O)C=CC1=O
Isomeric SMILES
CCCCCCN1C(=O)C=CC1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H15NO2
Heavy Atom Count
13
Molecular Weight
181.235
Exact Molecular Weight
181.1103
Valence Electrons
72
Radical Electrons
0
tPSA
37.38
MolLogP
1.4917
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

 28 28  0  0  0  0  0  0  0  0999 V2000
   -4.2681    0.8355   -0.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4005   -0.2116   -0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9482    0.2513   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1912   -0.8871    0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2636   -0.5847    0.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870   -0.2968   -0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700   -0.0239   -0.1293 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4081   -0.9906   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3526   -2.2387   -0.2471 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6511   -0.3063    0.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3790    0.9799    0.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9669    1.2291    0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155    2.3580    0.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8852    0.3380   -1.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7207    1.6722   -1.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183    1.2670   -0.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7737   -0.4422    0.8842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3809   -1.1546   -0.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5273    0.4830   -1.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9041    1.1221    0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6351   -1.0278    1.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3971   -1.7893    0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7347   -1.4480    1.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3267    0.3456    1.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414   -1.1249   -1.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5503    0.6264   -0.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6201   -0.7290    0.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0834    1.7475    0.6950 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12  7  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
 10 27  1  0
 11 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers