1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol

C17H26N2O4 — CID 57120164

IUPAC1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CCCCCCCCCn1c(O)ccc1O
InChIInChI=1S/C17H26N2O4/c20-14-8-9-15(21)18(14)12-6-4-2-1-3-5-7-13-19-16(22)10-11-17(19)23/h8-11,20-23H,1-7,12-13H2
InChIKeyLIEDVSRNHKLRBG-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.54
Rot. Bonds10

About 1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol

1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol (PubChem CID 57120164) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol
PubChem CID57120164
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CCCCCCCCCn1c(O)ccc1O
InChIInChI=1S/C17H26N2O4/c20-14-8-9-15(21)18(14)12-6-4-2-1-3-5-7-13-19-16(22)10-11-17(19)23/h8-11,20-23H,1-7,12-13H2
InChIKeyLIEDVSRNHKLRBG-UHFFFAOYSA-N
XLogP3.54
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.54
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
(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 54497013
1-(2,5-Dihydroxypyrrol-1-yl)sulfinylpyrrole-2,5-diol
CID 123849807
1-(5-Decan-5-ylsulfanylpentyl)pyrrole-2,5-diol
CID 53633843
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-[(2,5-Dihydroxypyrrol-1-yl)-methylamino]pyrrole-2,5-diol
CID 53647765
1-[8-(2,5-Dihydroxypyrrol-1-yl)octyl]pyrrole-2,5-diol
CID 53654444
1-Heptylpyrrole-2,5-diol
CID 53681999

Frequently Asked Questions

What is the IUPAC name of 1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol?
The IUPAC name of 1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol (CID 57120164) is 1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol is Oc1ccc(O)n1CCCCCCCCCn1c(O)ccc1O.
What is the InChIKey of 1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol?
The InChIKey is LIEDVSRNHKLRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c20-14-8-9-15(21)18(14)12-6-4-2-1-3-5-7-13-19-16(22)10-11-17(19)23/h8-11,20-23H,1-7,12-13H2.
What are the key properties of 1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol?
1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol has a molecular weight of 322.40 g/mol, XLogP of 3.54, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(2,5-dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol is sourced from PubChem (CID 57120164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).