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

C9H10N2O4 — CID 54124926

IUPAC1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1Cn1c(O)ccc1O
InChIInChI=1S/C9H10N2O4/c12-6-1-2-7(13)10(6)5-11-8(14)3-4-9(11)15/h1-4,12-15H,5H2
InChIKeyUHSCITFUWOXALU-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.62
Rot. Bonds2

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

1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol (PubChem CID 54124926) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol
PubChem CID54124926
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol
SMILESOc1ccc(O)n1Cn1c(O)ccc1O
InChIInChI=1S/C9H10N2O4/c12-6-1-2-7(13)10(6)5-11-8(14)3-4-9(11)15/h1-4,12-15H,5H2
InChIKeyUHSCITFUWOXALU-UHFFFAOYSA-N
XLogP0.62
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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-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
3,3-Bis(2,5-dihydroxypyrrol-1-yl)-2,3-bis(sulfanyl)propanoic acid
CID 57003836
1-(3,4,4-Trifluorobut-3-enyl)pyrrole-2,5-diol
CID 53856482
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol?
The IUPAC name of 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol (CID 54124926) is 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol is Oc1ccc(O)n1Cn1c(O)ccc1O.
What is the InChIKey of 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol?
The InChIKey is UHSCITFUWOXALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-6-1-2-7(13)10(6)5-11-8(14)3-4-9(11)15/h1-4,12-15H,5H2.
What are the key properties of 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol?
1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol has a molecular weight of 210.19 g/mol, XLogP of 0.62, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol is sourced from PubChem (CID 54124926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).