1-(4-aminophenyl)pyrrole-2,5-diol

C10H10N2O2 — CID 91562681

IUPAC1-(4-aminophenyl)pyrrole-2,5-diol
SMILESNc1ccc(-n2c(O)ccc2O)cc1
InChIInChI=1S/C10H10N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6,13-14H,11H2
InChIKeyLIWFJYSWEPFDCX-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.47
Rot. Bonds1

About 1-(4-aminophenyl)pyrrole-2,5-diol

1-(4-aminophenyl)pyrrole-2,5-diol (PubChem CID 91562681) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(4-aminophenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(4-aminophenyl)pyrrole-2,5-diol
PubChem CID91562681
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-(4-aminophenyl)pyrrole-2,5-diol
SMILESNc1ccc(-n2c(O)ccc2O)cc1
InChIInChI=1S/C10H10N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6,13-14H,11H2
InChIKeyLIWFJYSWEPFDCX-UHFFFAOYSA-N
XLogP1.47
TPSA71.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)pyrrole-2,5-diol?
The IUPAC name of 1-(4-aminophenyl)pyrrole-2,5-diol (CID 91562681) is 1-(4-aminophenyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(4-aminophenyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(4-aminophenyl)pyrrole-2,5-diol is Nc1ccc(-n2c(O)ccc2O)cc1.
What is the InChIKey of 1-(4-aminophenyl)pyrrole-2,5-diol?
The InChIKey is LIWFJYSWEPFDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6,13-14H,11H2.
What are the key properties of 1-(4-aminophenyl)pyrrole-2,5-diol?
1-(4-aminophenyl)pyrrole-2,5-diol has a molecular weight of 190.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)pyrrole-2,5-diol is sourced from PubChem (CID 91562681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).