1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol

C8H8N2O4 — CID 54353036

IUPAC1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol
SMILESOc1cc(-n2c(O)ccc2O)c(O)[nH]1
InChIInChI=1S/C8H8N2O4/c11-5-3-4(8(14)9-5)10-6(12)1-2-7(10)13/h1-3,9,11-14H
InChIKeyFGWWMCVSEORPDV-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.63
Rot. Bonds1

About 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol

1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol (PubChem CID 54353036) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol
PubChem CID54353036
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol
SMILESOc1cc(-n2c(O)ccc2O)c(O)[nH]1
InChIInChI=1S/C8H8N2O4/c11-5-3-4(8(14)9-5)10-6(12)1-2-7(10)13/h1-3,9,11-14H
InChIKeyFGWWMCVSEORPDV-UHFFFAOYSA-N
XLogP0.63
TPSA101.64 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1H-pyrrole-2,5-diol
CID 53947578
3-(methylamino)-1H-pyrrole-2,5-diol
CID 91398721
3-[(2,5-Dihydroxy-1-methylpyrrol-3-yl)amino]-1-methylpyrrole-2,5-diol
CID 53679535
3-Amino-1-methylpyrrole-2,5-diol
CID 53798084
1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one
CID 54206817
tert-butyl N-(2,5-dihydroxy-1H-pyrrol-3-yl)carbamate
CID 54318666
3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol
CID 54541041
2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid
CID 54545046
3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one
CID 57074229
3-[dodecyl(octyl)amino]-1H-pyrrole-2,5-diol
CID 57076371
3-(butylamino)-1H-pyrrole-2,5-diol
CID 90700545
3-(hydroxyamino)-1H-pyrrole-2,5-diol
CID 90855594

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol?
The IUPAC name of 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol (CID 54353036) is 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol?
The canonical SMILES for 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol is Oc1cc(-n2c(O)ccc2O)c(O)[nH]1.
What is the InChIKey of 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol?
The InChIKey is FGWWMCVSEORPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-5-3-4(8(14)9-5)10-6(12)1-2-7(10)13/h1-3,9,11-14H.
What are the key properties of 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol?
1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol has a molecular weight of 196.16 g/mol, XLogP of 0.63, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol is sourced from PubChem (CID 54353036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).