[3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium

C11H10N3O3+ — CID 135800519

IUPAC[3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium
SMILES[NH2+]=NC(=O)c1cccc(-n2c(O)ccc2O)c1
InChIInChI=1S/C11H9N3O3/c12-13-11(17)7-2-1-3-8(6-7)14-9(15)4-5-10(14)16/h1-6,12,15-16H/p+1
InChIKeyQSPFBMPIIUUCSK-UHFFFAOYSA-O
MW232.22 g/mol
LogP0.24
Rot. Bonds2

About [3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium

[3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium (PubChem CID 135800519) has the molecular formula C11H10N3O3+ and a molecular weight of 232.22 g/mol. Its IUPAC name is [3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium.

Molecular Properties

Compound Name[3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium
PubChem CID135800519
Molecular FormulaC11H10N3O3+
Molecular Weight232.22 g/mol
Exact Mass232.07
IUPAC Name[3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium
SMILES[NH2+]=NC(=O)c1cccc(-n2c(O)ccc2O)c1
InChIInChI=1S/C11H9N3O3/c12-13-11(17)7-2-1-3-8(6-7)14-9(15)4-5-10(14)16/h1-6,12,15-16H/p+1
InChIKeyQSPFBMPIIUUCSK-UHFFFAOYSA-O
XLogP0.24
TPSA100.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium?
The IUPAC name of [3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium (CID 135800519) is [3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium.
What is the SMILES notation for [3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium?
The canonical SMILES for [3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium is [NH2+]=NC(=O)c1cccc(-n2c(O)ccc2O)c1.
What is the InChIKey of [3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium?
The InChIKey is QSPFBMPIIUUCSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H9N3O3/c12-13-11(17)7-2-1-3-8(6-7)14-9(15)4-5-10(14)16/h1-6,12,15-16H/p+1.
What are the key properties of [3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium?
[3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium has a molecular weight of 232.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dihydroxypyrrol-1-yl)benzoyl]iminoazanium is sourced from PubChem (CID 135800519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).