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
   -4.7194   -0.1319    0.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5368    0.1165   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2222   -0.1494    0.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216    0.1408   -0.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2495   -0.0812    0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2584    0.2415   -0.8922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6073    0.0712   -0.4540 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3969    1.0896    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0611    2.2637    0.3876 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7069    0.5297    0.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7246   -0.7362    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4307   -1.0802   -0.5096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1258   -2.2049   -0.9676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4896   -0.1466    1.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4502    0.6854    0.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1461   -1.1234    0.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4841    1.1432   -0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5369   -0.5831   -1.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1515    0.4789    1.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1998   -1.2050    0.9423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1869    1.2347   -0.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2794   -0.4916   -1.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3916   -1.1487    0.4970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3476    0.6147    1.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0637    1.3070   -1.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0632   -0.4401   -1.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5450    1.0258    0.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5522   -1.4203    0.1573 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