(1-propan-2-ylazetidin-2-yl)methyl hypoiodite

C7H14INO — CID 176946794

IUPAC(1-propan-2-ylazetidin-2-yl)methyl hypoiodite
SMILESCC(C)N1CCC1COI
InChIInChI=1S/C7H14INO/c1-6(2)9-4-3-7(9)5-10-8/h6-7H,3-5H2,1-2H3
InChIKeySPPGTEBCBPQUNE-UHFFFAOYSA-N
MW255.10 g/mol
LogP1.84
Rot. Bonds3

About (1-propan-2-ylazetidin-2-yl)methyl hypoiodite

(1-propan-2-ylazetidin-2-yl)methyl hypoiodite (PubChem CID 176946794) has the molecular formula C7H14INO and a molecular weight of 255.10 g/mol. Its IUPAC name is (1-propan-2-ylazetidin-2-yl)methyl hypoiodite.

Molecular Properties

Compound Name(1-propan-2-ylazetidin-2-yl)methyl hypoiodite
PubChem CID176946794
Molecular FormulaC7H14INO
Molecular Weight255.10 g/mol
Exact Mass255.01
IUPAC Name(1-propan-2-ylazetidin-2-yl)methyl hypoiodite
SMILESCC(C)N1CCC1COI
InChIInChI=1S/C7H14INO/c1-6(2)9-4-3-7(9)5-10-8/h6-7H,3-5H2,1-2H3
InChIKeySPPGTEBCBPQUNE-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropoxymethyl)-1-propan-2-ylazetidine
CID 155088178
(1-propan-2-ylazetidin-2-yl)methyl carbamate
CID 175128148
2-ethyl-1-propan-2-ylazetidine;propane
CID 163256433
(2R)-1-propan-2-yl-2-propylazetidine
CID 167386397
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
CID 164547816
2-(2-iodoethyl)-1-propan-2-ylpyrrolidine
CID 167152246
2-ethyl-4-methyl-1-propan-2-ylpiperidine
CID 171506462
(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
CID 103440582
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 174163970

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylazetidin-2-yl)methyl hypoiodite?
The IUPAC name of (1-propan-2-ylazetidin-2-yl)methyl hypoiodite (CID 176946794) is (1-propan-2-ylazetidin-2-yl)methyl hypoiodite.
What is the SMILES notation for (1-propan-2-ylazetidin-2-yl)methyl hypoiodite?
The canonical SMILES for (1-propan-2-ylazetidin-2-yl)methyl hypoiodite is CC(C)N1CCC1COI.
What is the InChIKey of (1-propan-2-ylazetidin-2-yl)methyl hypoiodite?
The InChIKey is SPPGTEBCBPQUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14INO/c1-6(2)9-4-3-7(9)5-10-8/h6-7H,3-5H2,1-2H3.
What are the key properties of (1-propan-2-ylazetidin-2-yl)methyl hypoiodite?
(1-propan-2-ylazetidin-2-yl)methyl hypoiodite has a molecular weight of 255.10 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylazetidin-2-yl)methyl hypoiodite is sourced from PubChem (CID 176946794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).