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
   -3.7154    1.3764   -0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759    0.9124   -0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9022   -0.2315   -0.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5031   -0.6845   -0.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3569   -1.1505    0.7267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0429   -1.6431    1.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0433   -0.6257    0.8521 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7204   -0.4113   -0.3793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5873   -1.0283   -1.4759 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    0.6958   -0.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5470    1.1243    1.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5481    0.3261    1.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2141    0.4744    2.9776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7944    2.4757   -0.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9761    1.0658   -1.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3766    0.8609    0.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2428    0.6316    1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6233    1.8012   -0.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0857   -0.0044   -2.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5881   -1.0754   -0.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1348   -1.4168   -1.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1636    0.2093   -0.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5844   -0.3223    1.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0506   -1.9783    0.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0464   -1.9224    2.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381   -2.5001    0.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2982    1.0947   -0.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1184    1.9457    1.5372 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