1-anilinopyrrole-2,5-diol

C10H10N2O2 — CID 54040048

IUPAC1-anilinopyrrole-2,5-diol
SMILESOc1ccc(O)n1Nc1ccccc1
InChIInChI=1S/C10H10N2O2/c13-9-6-7-10(14)12(9)11-8-4-2-1-3-5-8/h1-7,11,13-14H
InChIKeyLLRICRKYQWIZAQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.77
Rot. Bonds2

About 1-anilinopyrrole-2,5-diol

1-anilinopyrrole-2,5-diol (PubChem CID 54040048) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-anilinopyrrole-2,5-diol.

Molecular Properties

Compound Name1-anilinopyrrole-2,5-diol
PubChem CID54040048
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-anilinopyrrole-2,5-diol
SMILESOc1ccc(O)n1Nc1ccccc1
InChIInChI=1S/C10H10N2O2/c13-9-6-7-10(14)12(9)11-8-4-2-1-3-5-8/h1-7,11,13-14H
InChIKeyLLRICRKYQWIZAQ-UHFFFAOYSA-N
XLogP1.77
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-anilinopyrrole-2,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 457418
CID 457418
CID 13016220
CID 13016220
CID 90950667
CID 90950667
CID 91236423
CID 91236423
CID 123732146
CID 123732146
CID 91467473
CID 91467473
CID 53647485
CID 53647485
CID 53649436
CID 53649436
CID 53733168
CID 53733168
CID 53855912
CID 53855912
CID 53932674
CID 53932674
CID 54172956
CID 54172956

Frequently Asked Questions

What is the IUPAC name of 1-anilinopyrrole-2,5-diol?
The IUPAC name of 1-anilinopyrrole-2,5-diol (CID 54040048) is 1-anilinopyrrole-2,5-diol.
What is the SMILES notation for 1-anilinopyrrole-2,5-diol?
The canonical SMILES for 1-anilinopyrrole-2,5-diol is Oc1ccc(O)n1Nc1ccccc1.
What is the InChIKey of 1-anilinopyrrole-2,5-diol?
The InChIKey is LLRICRKYQWIZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-9-6-7-10(14)12(9)11-8-4-2-1-3-5-8/h1-7,11,13-14H.
What are the key properties of 1-anilinopyrrole-2,5-diol?
1-anilinopyrrole-2,5-diol has a molecular weight of 190.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilinopyrrole-2,5-diol is sourced from PubChem (CID 54040048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).