3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine

C10H17NO3 — CID 116986970

IUPAC3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine
SMILESCC12COC(C3CCNC3)(OC1)OC2
InChIInChI=1S/C10H17NO3/c1-9-5-12-10(13-6-9,14-7-9)8-2-3-11-4-8/h8,11H,2-7H2,1H3
InChIKeyQCQJAZGXYABTRL-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.33
Rot. Bonds1

About 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine

3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine (PubChem CID 116986970) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine.

Molecular Properties

Compound Name3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine
PubChem CID116986970
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine
SMILESCC12COC(C3CCNC3)(OC1)OC2
InChIInChI=1S/C10H17NO3/c1-9-5-12-10(13-6-9,14-7-9)8-2-3-11-4-8/h8,11H,2-7H2,1H3
InChIKeyQCQJAZGXYABTRL-UHFFFAOYSA-N
XLogP0.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine?
The IUPAC name of 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine (CID 116986970) is 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine.
What is the SMILES notation for 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine?
The canonical SMILES for 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine is CC12COC(C3CCNC3)(OC1)OC2.
What is the InChIKey of 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine?
The InChIKey is QCQJAZGXYABTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-9-5-12-10(13-6-9,14-7-9)8-2-3-11-4-8/h8,11H,2-7H2,1H3.
What are the key properties of 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine?
3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine has a molecular weight of 199.25 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)pyrrolidine is sourced from PubChem (CID 116986970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).