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
   -3.4089    1.0054    0.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0695   -0.3504   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8944   -0.2542   -1.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6746    0.2890   -0.4758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3200   -0.6237    0.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9029   -0.1577    1.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785   -0.0718    0.5788 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0252   -1.1247    0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9052   -2.2723    0.8654 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0727   -0.6549   -0.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7975    0.6097   -0.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5656    1.0278   -0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0515    2.1510   -0.2646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9855    1.7711   -0.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0090    1.1334    1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5028    1.1723    0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9472   -1.1081    0.5469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9679   -0.6994   -0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6652   -1.2759   -1.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1521    0.3419   -2.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1868    0.3435   -1.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9106    1.3197   -0.1574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0839   -1.6183    0.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1491   -0.7114    1.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7247    0.7804    1.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890   -0.9586    2.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9113   -1.2570   -0.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4301    1.1934   -1.5243 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