1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium

C7H15NO3 — CID 23557869

IUPAC1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium
SMILESCOOCC1CC[N+](C)([O-])C1
InChIInChI=1S/C7H15NO3/c1-8(9)4-3-7(5-8)6-11-10-2/h7H,3-6H2,1-2H3
InChIKeyIDWMEIYEPCBZMD-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.53
Rot. Bonds3

About 1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium

1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium (PubChem CID 23557869) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium.

Molecular Properties

Compound Name1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium
PubChem CID23557869
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium
SMILESCOOCC1CC[N+](C)([O-])C1
InChIInChI=1S/C7H15NO3/c1-8(9)4-3-7(5-8)6-11-10-2/h7H,3-6H2,1-2H3
InChIKeyIDWMEIYEPCBZMD-UHFFFAOYSA-N
XLogP0.53
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(1-Ethylpyrrolidin-3-yl)methyl hypofluorite
CID 142317749
(1-Methylpyrrolidin-3-yl)methyl hypofluorite
CID 164002426
O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine
CID 20595377
3-(Methoxymethyl)-1-methylpyrrolidine
CID 21041461
(1-Methyl-1-oxidopyrrolidin-1-ium-3-yl)methanol
CID 22967018
1-Methyl-3-(methylperoxymethyl)pyrrolidine
CID 23557870
(3S)-3-(methoxymethyl)-1-methylpyrrolidine
CID 58134409
(3R)-3-(methoxymethyl)-1-methylpyrrolidine
CID 60133896
N-methoxy-N-methyl-1-(oxolan-3-yl)methanamine
CID 130708413
(4R)-2-(4-methoxybutyl)-4-methyl-1,2-oxazolidine
CID 134567853
1-Methyl-3-(sulfanyloxymethyl)pyrrolidine
CID 139554087
(1-Hydroxy-1-methylpyrrolidin-1-ium-3-yl)methanol
CID 141862641

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium?
The IUPAC name of 1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium (CID 23557869) is 1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium.
What is the SMILES notation for 1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium?
The canonical SMILES for 1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium is COOCC1CC[N+](C)([O-])C1.
What is the InChIKey of 1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium?
The InChIKey is IDWMEIYEPCBZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-8(9)4-3-7(5-8)6-11-10-2/h7H,3-6H2,1-2H3.
What are the key properties of 1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium?
1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium has a molecular weight of 161.20 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium is sourced from PubChem (CID 23557869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).