3-(hydroxyamino)-1H-pyrrole-2,5-diol

C4H6N2O3 — CID 90855594

IUPAC3-(hydroxyamino)-1H-pyrrole-2,5-diol
SMILESONc1cc(O)[nH]c1O
InChIInChI=1S/C4H6N2O3/c7-3-1-2(6-9)4(8)5-3/h1,5-9H
InChIKeyBFHYEIIKBBHUNW-UHFFFAOYSA-N
MW130.10 g/mol
LogP0.23
Rot. Bonds1

About 3-(hydroxyamino)-1H-pyrrole-2,5-diol

3-(hydroxyamino)-1H-pyrrole-2,5-diol (PubChem CID 90855594) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is 3-(hydroxyamino)-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-(hydroxyamino)-1H-pyrrole-2,5-diol
PubChem CID90855594
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name3-(hydroxyamino)-1H-pyrrole-2,5-diol
SMILESONc1cc(O)[nH]c1O
InChIInChI=1S/C4H6N2O3/c7-3-1-2(6-9)4(8)5-3/h1,5-9H
InChIKeyBFHYEIIKBBHUNW-UHFFFAOYSA-N
XLogP0.23
TPSA88.51 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 50.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)-1H-pyrrole-2,5-diol?
The IUPAC name of 3-(hydroxyamino)-1H-pyrrole-2,5-diol (CID 90855594) is 3-(hydroxyamino)-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-(hydroxyamino)-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-(hydroxyamino)-1H-pyrrole-2,5-diol is ONc1cc(O)[nH]c1O.
What is the InChIKey of 3-(hydroxyamino)-1H-pyrrole-2,5-diol?
The InChIKey is BFHYEIIKBBHUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c7-3-1-2(6-9)4(8)5-3/h1,5-9H.
What are the key properties of 3-(hydroxyamino)-1H-pyrrole-2,5-diol?
3-(hydroxyamino)-1H-pyrrole-2,5-diol has a molecular weight of 130.10 g/mol, XLogP of 0.23, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)-1H-pyrrole-2,5-diol is sourced from PubChem (CID 90855594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).