(2S)-2-(methylperoxymethyl)pyrrolidine

C6H13NO2 — CID 88881099

IUPAC(2S)-2-(methylperoxymethyl)pyrrolidine
SMILESCOOC[C@@H]1CCCN1
InChIInChI=1S/C6H13NO2/c1-8-9-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyVPOBBICVVCFUKT-LURJTMIESA-N
MW131.18 g/mol
LogP0.32
Rot. Bonds3

About (2S)-2-(methylperoxymethyl)pyrrolidine

(2S)-2-(methylperoxymethyl)pyrrolidine (PubChem CID 88881099) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (2S)-2-(methylperoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methylperoxymethyl)pyrrolidine
PubChem CID88881099
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(2S)-2-(methylperoxymethyl)pyrrolidine
SMILESCOOC[C@@H]1CCCN1
InChIInChI=1S/C6H13NO2/c1-8-9-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeyVPOBBICVVCFUKT-LURJTMIESA-N
XLogP0.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

O-(pyrrolidin-2-ylmethyl)hydroxylamine
CID 52910992
(2R)-2-(methoxymethyl)pyrrolidine;molecular hydrogen;propane
CID 143635962
(2R)-2-[3-(2-methoxyethoxy)propoxymethyl]pyrrolidine
CID 103402661
[(2S)-pyrrolidin-2-yl]methoxysilane
CID 123846708
2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 20765506
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
2-(4-methoxybutoxymethyl)pyrrolidine
CID 104648269
2-(ethoxymethyl)pyrrolidine;2-(methoxymethyl)pyrrolidine
CID 145216939
(2S)-2-(1-methylsulfanylethoxymethyl)pyrrolidine
CID 146554442
(2R)-2-[2-(2-methylpropoxy)ethoxymethyl]pyrrolidine
CID 106447713
(2S)-2-(cyclopropylmethoxymethyl)pyrrolidine
CID 59651686
(2R)-2-(cyclopropylmethoxymethyl)pyrrolidine
CID 102820123

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylperoxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(methylperoxymethyl)pyrrolidine (CID 88881099) is (2S)-2-(methylperoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(methylperoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(methylperoxymethyl)pyrrolidine is COOC[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(methylperoxymethyl)pyrrolidine?
The InChIKey is VPOBBICVVCFUKT-LURJTMIESA-N. The full InChI is InChI=1S/C6H13NO2/c1-8-9-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-(methylperoxymethyl)pyrrolidine?
(2S)-2-(methylperoxymethyl)pyrrolidine has a molecular weight of 131.18 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylperoxymethyl)pyrrolidine is sourced from PubChem (CID 88881099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).