[1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite

C8H14INO2 — CID 138648412

IUPAC[1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite
SMILESCC(C)C(=O)N1CCC(OI)C1
InChIInChI=1S/C8H14INO2/c1-6(2)8(11)10-4-3-7(5-10)12-9/h6-7H,3-5H2,1-2H3
InChIKeyNMKZXQVBYDXTIG-UHFFFAOYSA-N
MW283.11 g/mol
LogP1.61
Rot. Bonds2

About [1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite

[1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite (PubChem CID 138648412) has the molecular formula C8H14INO2 and a molecular weight of 283.11 g/mol. Its IUPAC name is [1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite.

Molecular Properties

Compound Name[1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite
PubChem CID138648412
Molecular FormulaC8H14INO2
Molecular Weight283.11 g/mol
Exact Mass283.01
IUPAC Name[1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite
SMILESCC(C)C(=O)N1CCC(OI)C1
InChIInChI=1S/C8H14INO2/c1-6(2)8(11)10-4-3-7(5-10)12-9/h6-7H,3-5H2,1-2H3
InChIKeyNMKZXQVBYDXTIG-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite 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

2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 165116537
1-(3,4-dihydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 118217486
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
1-(3-methoxypyrrolidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107037146
2-bromo-1-(3-methoxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 103531419
1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-methylpropan-1-one
CID 90637306
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
1-[(3R,4R)-3-amino-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 131320738

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite?
The IUPAC name of [1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite (CID 138648412) is [1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite.
What is the SMILES notation for [1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite?
The canonical SMILES for [1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite is CC(C)C(=O)N1CCC(OI)C1.
What is the InChIKey of [1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite?
The InChIKey is NMKZXQVBYDXTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14INO2/c1-6(2)8(11)10-4-3-7(5-10)12-9/h6-7H,3-5H2,1-2H3.
What are the key properties of [1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite?
[1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite has a molecular weight of 283.11 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropanoyl)pyrrolidin-3-yl] hypoiodite is sourced from PubChem (CID 138648412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).