1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol

C14H20N2O4 — CID 54110038

IUPAC1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol
SMILESCCCCCC(n1c(O)ccc1O)n1c(O)ccc1O
InChIInChI=1S/C14H20N2O4/c1-2-3-4-5-10(15-11(17)6-7-12(15)18)16-13(19)8-9-14(16)20/h6-10,17-20H,2-5H2,1H3
InChIKeyNGLFVIZEBUTZSX-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.74
Rot. Bonds6

About 1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol

1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol (PubChem CID 54110038) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol
PubChem CID54110038
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol
SMILESCCCCCC(n1c(O)ccc1O)n1c(O)ccc1O
InChIInChI=1S/C14H20N2O4/c1-2-3-4-5-10(15-11(17)6-7-12(15)18)16-13(19)8-9-14(16)20/h6-10,17-20H,2-5H2,1H3
InChIKeyNGLFVIZEBUTZSX-UHFFFAOYSA-N
XLogP2.74
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Ethylpyrrole-2,5-diol
CID 54068298
1-[(2,5-Dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol
CID 54124926
1-Pentylpyrrole-2,5-diol
CID 54382624
1-(2,5-Dihydroxypyrrol-1-yl)sulfanylpyrrole-2,5-diol
CID 54463532
1-[(Dicyclohexylamino)methyl]pyrrole-2,5-diol
CID 90710890
1-(2,5-Dihydroxypyrrol-1-yl)sulfinylpyrrole-2,5-diol
CID 123849807
1-[3-(2,5-Dihydroxypyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-diol
CID 53634166
3-(2,5-Dihydroxypyrrol-1-yl)propyl-ethyl-dimethylazanium
CID 53638599
1-[8-(2,5-Dihydroxypyrrol-1-yl)octyl]pyrrole-2,5-diol
CID 53654444
1-Heptylpyrrole-2,5-diol
CID 53681999
1-[6-(2,5-Dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol
CID 53695294
1-Octadecylpyrrole-2,5-diol
CID 53699736

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol?
The IUPAC name of 1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol (CID 54110038) is 1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol is CCCCCC(n1c(O)ccc1O)n1c(O)ccc1O.
What is the InChIKey of 1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol?
The InChIKey is NGLFVIZEBUTZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-3-4-5-10(15-11(17)6-7-12(15)18)16-13(19)8-9-14(16)20/h6-10,17-20H,2-5H2,1H3.
What are the key properties of 1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol?
1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol has a molecular weight of 280.32 g/mol, XLogP of 2.74, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol is sourced from PubChem (CID 54110038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).