3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine

C10H17NO3 — CID 116986835

IUPAC3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine
SMILESC1CC(CC23OCC(CO2)CO3)CN1
InChIInChI=1S/C10H17NO3/c1-2-11-4-8(1)3-10-12-5-9(6-13-10)7-14-10/h8-9,11H,1-7H2
InChIKeyGKSTZJVTRICDAN-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.33
Rot. Bonds2

About 3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine

3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine (PubChem CID 116986835) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine
PubChem CID116986835
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine
SMILESC1CC(CC23OCC(CO2)CO3)CN1
InChIInChI=1S/C10H17NO3/c1-2-11-4-8(1)3-10-12-5-9(6-13-10)7-14-10/h8-9,11H,1-7H2
InChIKeyGKSTZJVTRICDAN-UHFFFAOYSA-N
XLogP0.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine?
The IUPAC name of 3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine (CID 116986835) is 3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine?
The canonical SMILES for 3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine is C1CC(CC23OCC(CO2)CO3)CN1.
What is the InChIKey of 3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine?
The InChIKey is GKSTZJVTRICDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-11-4-8(1)3-10-12-5-9(6-13-10)7-14-10/h8-9,11H,1-7H2.
What are the key properties of 3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine?
3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine has a molecular weight of 199.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6,7-trioxabicyclo[2.2.2]octan-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 116986835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).