(1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol

C14H25NO2 — CID 98541609

IUPAC(1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol
SMILESCC1(C)O[C@]2(C)CC[C@@H]1[C@@H](O)[C@H]2N1CCCC1
InChIInChI=1S/C14H25NO2/c1-13(2)10-6-7-14(3,17-13)12(11(10)16)15-8-4-5-9-15/h10-12,16H,4-9H2,1-3H3/t10-,11-,12-,14-/m1/s1
InChIKeyQKGZDMXHXCXTMP-HKUMRIAESA-N
MW239.36 g/mol
LogP1.79
Rot. Bonds1

About (1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol

(1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol (PubChem CID 98541609) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol.

Molecular Properties

Compound Name(1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol
PubChem CID98541609
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol
SMILESCC1(C)O[C@]2(C)CC[C@@H]1[C@@H](O)[C@H]2N1CCCC1
InChIInChI=1S/C14H25NO2/c1-13(2)10-6-7-14(3,17-13)12(11(10)16)15-8-4-5-9-15/h10-12,16H,4-9H2,1-3H3/t10-,11-,12-,14-/m1/s1
InChIKeyQKGZDMXHXCXTMP-HKUMRIAESA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol with MolForge

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Related Compounds

(1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol
CID 98541620
(1S,4R,5S,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-5,6-diol
CID 124674049
1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane
CID 556904
5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane
CID 3936995
4-aminobenzoic acid;(1R,2R,3R,4S)-4,7,7-trimethyl-3-piperidin-1-ylbicyclo[2.2.1]heptan-2-ol
CID 23622878
phenyl-[(1R,2R,4S,5S)-5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonan-3-yl]methanone
CID 98540800
5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol
CID 13423312
(1S,4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
CID 101389805
(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol
CID 130741525
(1R,2R,4S,5R)-5,7,7-trimethyl-N-phenyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonane-3-carboxamide
CID 98501469
(1R,5S)-1,4,4-trimethyl-3,8-dioxabicyclo[3.2.1]octan-2-ol
CID 130809034
3-(azepan-1-yl)-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 82187151

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol?
The IUPAC name of (1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol (CID 98541609) is (1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol.
What is the SMILES notation for (1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol?
The canonical SMILES for (1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol is CC1(C)O[C@]2(C)CC[C@@H]1[C@@H](O)[C@H]2N1CCCC1.
What is the InChIKey of (1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol?
The InChIKey is QKGZDMXHXCXTMP-HKUMRIAESA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2)10-6-7-14(3,17-13)12(11(10)16)15-8-4-5-9-15/h10-12,16H,4-9H2,1-3H3/t10-,11-,12-,14-/m1/s1.
What are the key properties of (1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol?
(1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol has a molecular weight of 239.36 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol is sourced from PubChem (CID 98541609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).