(1-methylpyrrol-2-yl)-phenyliodanium

C11H11IN+ — CID 101032124

IUPAC(1-methylpyrrol-2-yl)-phenyliodanium
SMILESCn1cccc1[I+]c1ccccc1
InChIInChI=1S/C11H11IN/c1-13-9-5-8-11(13)12-10-6-3-2-4-7-10/h2-9H,1H3/q+1
InChIKeyIPRXVHMOASGACE-UHFFFAOYSA-N
MW284.12 g/mol
LogP-0.85
Rot. Bonds2

About (1-methylpyrrol-2-yl)-phenyliodanium

(1-methylpyrrol-2-yl)-phenyliodanium (PubChem CID 101032124) has the molecular formula C11H11IN+ and a molecular weight of 284.12 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-phenyliodanium.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-phenyliodanium
PubChem CID101032124
Molecular FormulaC11H11IN+
Molecular Weight284.12 g/mol
Exact Mass283.99
IUPAC Name(1-methylpyrrol-2-yl)-phenyliodanium
SMILESCn1cccc1[I+]c1ccccc1
InChIInChI=1S/C11H11IN/c1-13-9-5-8-11(13)12-10-6-3-2-4-7-10/h2-9H,1H3/q+1
InChIKeyIPRXVHMOASGACE-UHFFFAOYSA-N
XLogP-0.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1-methylpyrrol-2-yl)-phenyliodanium 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

diphenyliodanium;ethane;methane
CID 159636739
2-(1-methylpyrrol-2-yl)cyclopropan-1-amine
CID 102547908
diphenyliodanium;hydroiodide
CID 54604341
4,5,10,11,16,17-hexakis(1-methylpyrrol-2-yl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,6,8,12,14-hexaene
CID 129087583
N-(1-methyl-2-oxo-3-pyridinyl)-2-phenylmorpholine-4-carboxamide
CID 71992056
ethane;2-phenyloxirane
CID 54171856
2-methyl-8-phenyl-9-oxa-2,3,12-triazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene
CID 19833876
1-methyl-2-[(2R)-pyrrolidin-1-ium-2-yl]pyrrole
CID 7128654
2-[(1S)-cyclopent-2-en-1-yl]-1-methylpyrrole
CID 162013340
methyl 5-(1-methylpyrrol-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762781
carbanide;diphenyliodanium;ethane;triphenylsulfanium
CID 162244190
(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)azanide
CID 162358368

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-phenyliodanium?
The IUPAC name of (1-methylpyrrol-2-yl)-phenyliodanium (CID 101032124) is (1-methylpyrrol-2-yl)-phenyliodanium.
What is the SMILES notation for (1-methylpyrrol-2-yl)-phenyliodanium?
The canonical SMILES for (1-methylpyrrol-2-yl)-phenyliodanium is Cn1cccc1[I+]c1ccccc1.
What is the InChIKey of (1-methylpyrrol-2-yl)-phenyliodanium?
The InChIKey is IPRXVHMOASGACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN/c1-13-9-5-8-11(13)12-10-6-3-2-4-7-10/h2-9H,1H3/q+1.
What are the key properties of (1-methylpyrrol-2-yl)-phenyliodanium?
(1-methylpyrrol-2-yl)-phenyliodanium has a molecular weight of 284.12 g/mol, XLogP of -0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-phenyliodanium is sourced from PubChem (CID 101032124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).