1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol

C15H22N2O4 — CID 54364204

IUPAC1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CCCCCCCn1c(O)ccc1O
InChIInChI=1S/C15H22N2O4/c18-12-6-7-13(19)16(12)10-4-2-1-3-5-11-17-14(20)8-9-15(17)21/h6-9,18-21H,1-5,10-11H2
InChIKeyUOPQUFHLYUCILV-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.76
Rot. Bonds8

About 1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol

1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol (PubChem CID 54364204) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol
PubChem CID54364204
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1CCCCCCCn1c(O)ccc1O
InChIInChI=1S/C15H22N2O4/c18-12-6-7-13(19)16(12)10-4-2-1-3-5-11-17-14(20)8-9-15(17)21/h6-9,18-21H,1-5,10-11H2
InChIKeyUOPQUFHLYUCILV-UHFFFAOYSA-N
XLogP2.76
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.76
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-Methylpyrrole-2,5-diol
CID 21326740
Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
1-(Hydroxymethyl)pyrrole-2,5-diol
CID 54060161
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
2-[[1-Carboxy-2-(2,5-dihydroxypyrrol-1-yl)ethyl]disulfanyl]-3-(2,5-dihydroxypyrrol-1-yl)propanoic acid
CID 54509190
1-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
CID 123225679
1-(3,4,4-Trifluorobut-3-enyl)pyrrole-2,5-diol
CID 53856482
1-(2,5-Dihydroxypyrrol-1-yl)sulfinylpyrrole-2,5-diol
CID 123849807

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol?
The IUPAC name of 1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol (CID 54364204) is 1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol is Oc1ccc(O)n1CCCCCCCn1c(O)ccc1O.
What is the InChIKey of 1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol?
The InChIKey is UOPQUFHLYUCILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-12-6-7-13(19)16(12)10-4-2-1-3-5-11-17-14(20)8-9-15(17)21/h6-9,18-21H,1-5,10-11H2.
What are the key properties of 1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol?
1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol has a molecular weight of 294.35 g/mol, XLogP of 2.76, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2,5-dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol is sourced from PubChem (CID 54364204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).