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
   -3.8942    0.2958    0.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6402   -0.0689   -0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2705    0.3990   -0.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2534   -0.2683   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1680    0.1237   -0.4828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -0.6414    0.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4477   -0.3055    0.1987 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3551   -0.9403   -0.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654   -1.9442   -1.3907 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6385   -0.2435   -0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5309    0.7579    0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875    0.7757    0.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7339    1.5987    1.6305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9960    0.1261    1.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3729   -0.3500    1.6233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6935    1.3719    1.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7716   -1.1562   -0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4449    0.4472   -1.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2162    1.4927   -0.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1636    0.0956   -2.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -1.3746   -0.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4681   -0.0725    0.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3479    1.2025   -0.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4344   -0.2105   -1.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9043   -1.7222    0.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7910   -0.3738    1.5201 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5294   -0.4908   -1.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3080    1.4760    0.4661 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