2-amino-1-(2-aminophenyl)pyrrol-3-ol

C10H11N3O — CID 174546015

IUPAC2-amino-1-(2-aminophenyl)pyrrol-3-ol
SMILESNc1ccccc1-n1ccc(O)c1N
InChIInChI=1S/C10H11N3O/c11-7-3-1-2-4-8(7)13-6-5-9(14)10(13)12/h1-6,14H,11-12H2
InChIKeyMMRQGPCDUZHNOI-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.35
Rot. Bonds1

About 2-amino-1-(2-aminophenyl)pyrrol-3-ol

2-amino-1-(2-aminophenyl)pyrrol-3-ol (PubChem CID 174546015) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-amino-1-(2-aminophenyl)pyrrol-3-ol.

Molecular Properties

Compound Name2-amino-1-(2-aminophenyl)pyrrol-3-ol
PubChem CID174546015
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-amino-1-(2-aminophenyl)pyrrol-3-ol
SMILESNc1ccccc1-n1ccc(O)c1N
InChIInChI=1S/C10H11N3O/c11-7-3-1-2-4-8(7)13-6-5-9(14)10(13)12/h1-6,14H,11-12H2
InChIKeyMMRQGPCDUZHNOI-UHFFFAOYSA-N
XLogP1.35
TPSA77.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-aminophenyl)pyrrol-3-ol?
The IUPAC name of 2-amino-1-(2-aminophenyl)pyrrol-3-ol (CID 174546015) is 2-amino-1-(2-aminophenyl)pyrrol-3-ol.
What is the SMILES notation for 2-amino-1-(2-aminophenyl)pyrrol-3-ol?
The canonical SMILES for 2-amino-1-(2-aminophenyl)pyrrol-3-ol is Nc1ccccc1-n1ccc(O)c1N.
What is the InChIKey of 2-amino-1-(2-aminophenyl)pyrrol-3-ol?
The InChIKey is MMRQGPCDUZHNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-7-3-1-2-4-8(7)13-6-5-9(14)10(13)12/h1-6,14H,11-12H2.
What are the key properties of 2-amino-1-(2-aminophenyl)pyrrol-3-ol?
2-amino-1-(2-aminophenyl)pyrrol-3-ol has a molecular weight of 189.22 g/mol, XLogP of 1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-aminophenyl)pyrrol-3-ol is sourced from PubChem (CID 174546015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).