N-iodosyl-1H-pyrrol-2-amine

C4H5IN2O — CID 163738400

IUPACN-iodosyl-1H-pyrrol-2-amine
SMILESO=INc1ccc[nH]1
InChIInChI=1S/C4H5IN2O/c8-5-7-4-2-1-3-6-4/h1-3,6H,(H,7,8)
InChIKeyLFQVIBHELGNAII-UHFFFAOYSA-N
MW224.00 g/mol
LogP1.66
Rot. Bonds2

About N-iodosyl-1H-pyrrol-2-amine

N-iodosyl-1H-pyrrol-2-amine (PubChem CID 163738400) has the molecular formula C4H5IN2O and a molecular weight of 224.00 g/mol. Its IUPAC name is N-iodosyl-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-iodosyl-1H-pyrrol-2-amine
PubChem CID163738400
Molecular FormulaC4H5IN2O
Molecular Weight224.00 g/mol
Exact Mass223.94
IUPAC NameN-iodosyl-1H-pyrrol-2-amine
SMILESO=INc1ccc[nH]1
InChIInChI=1S/C4H5IN2O/c8-5-7-4-2-1-3-6-4/h1-3,6H,(H,7,8)
InChIKeyLFQVIBHELGNAII-UHFFFAOYSA-N
XLogP1.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.00
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
CID 68544991
1H-pyrrol-2-ylcarbamic acid
CID 57129797
N,N'-bis(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 163759001
2-hydroxy-N-(1H-pyrrol-2-yl)acetamide
CID 115139588
lithium;N-ethyl-1H-pyrrol-2-amine;hydride
CID 173205429
1-methyl-1-[(2-methylpropan-2-yl)oxy]-2-(1H-pyrrol-2-yl)hydrazine
CID 163581197
4-amino-N-(1H-pyrrol-2-yl)benzamide
CID 115160970
methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate
CID 115128260
N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine
CID 115197680
N-pyrrolidin-3-yl-1H-pyrrol-2-amine
CID 115118615
N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide
CID 67602472
3-methyl-4-(1H-pyrrol-2-ylamino)butanoic acid
CID 115219718

Frequently Asked Questions

What is the IUPAC name of N-iodosyl-1H-pyrrol-2-amine?
The IUPAC name of N-iodosyl-1H-pyrrol-2-amine (CID 163738400) is N-iodosyl-1H-pyrrol-2-amine.
What is the SMILES notation for N-iodosyl-1H-pyrrol-2-amine?
The canonical SMILES for N-iodosyl-1H-pyrrol-2-amine is O=INc1ccc[nH]1.
What is the InChIKey of N-iodosyl-1H-pyrrol-2-amine?
The InChIKey is LFQVIBHELGNAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2O/c8-5-7-4-2-1-3-6-4/h1-3,6H,(H,7,8).
What are the key properties of N-iodosyl-1H-pyrrol-2-amine?
N-iodosyl-1H-pyrrol-2-amine has a molecular weight of 224.00 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodosyl-1H-pyrrol-2-amine is sourced from PubChem (CID 163738400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).