1-methyl-2-(trioxidanyl)pyrrolidine

C5H11NO3 — CID 143169631

IUPAC1-methyl-2-(trioxidanyl)pyrrolidine
SMILESCN1CCCC1OOO
InChIInChI=1S/C5H11NO3/c1-6-4-2-3-5(6)8-9-7/h5,7H,2-4H2,1H3
InChIKeyUUUNJQDICHBKFL-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.46
Rot. Bonds2

About 1-methyl-2-(trioxidanyl)pyrrolidine

1-methyl-2-(trioxidanyl)pyrrolidine (PubChem CID 143169631) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1-methyl-2-(trioxidanyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-(trioxidanyl)pyrrolidine
PubChem CID143169631
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name1-methyl-2-(trioxidanyl)pyrrolidine
SMILESCN1CCCC1OOO
InChIInChI=1S/C5H11NO3/c1-6-4-2-3-5(6)8-9-7/h5,7H,2-4H2,1H3
InChIKeyUUUNJQDICHBKFL-UHFFFAOYSA-N
XLogP0.46
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trioxidanyl)pyrrolidine?
The IUPAC name of 1-methyl-2-(trioxidanyl)pyrrolidine (CID 143169631) is 1-methyl-2-(trioxidanyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-(trioxidanyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-(trioxidanyl)pyrrolidine is CN1CCCC1OOO.
What is the InChIKey of 1-methyl-2-(trioxidanyl)pyrrolidine?
The InChIKey is UUUNJQDICHBKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6-4-2-3-5(6)8-9-7/h5,7H,2-4H2,1H3.
What are the key properties of 1-methyl-2-(trioxidanyl)pyrrolidine?
1-methyl-2-(trioxidanyl)pyrrolidine has a molecular weight of 133.15 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trioxidanyl)pyrrolidine is sourced from PubChem (CID 143169631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).