(1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol

C11H21NO2 — CID 54291635

IUPAC(1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESCO[C@@H]1CCC[C@H](O)[C@H]1N1CCCC1
InChIInChI=1S/C11H21NO2/c1-14-10-6-4-5-9(13)11(10)12-7-2-3-8-12/h9-11,13H,2-8H2,1H3/t9-,10+,11+/m0/s1
InChIKeyRXXDKOMIEVXLGF-HBNTYKKESA-N
MW199.29 g/mol
LogP1.01
Rot. Bonds2

About (1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol

(1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol (PubChem CID 54291635) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol
PubChem CID54291635
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESCO[C@@H]1CCC[C@H](O)[C@H]1N1CCCC1
InChIInChI=1S/C11H21NO2/c1-14-10-6-4-5-9(13)11(10)12-7-2-3-8-12/h9-11,13H,2-8H2,1H3/t9-,10+,11+/m0/s1
InChIKeyRXXDKOMIEVXLGF-HBNTYKKESA-N
XLogP1.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol?
The IUPAC name of (1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol (CID 54291635) is (1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol is CO[C@@H]1CCC[C@H](O)[C@H]1N1CCCC1.
What is the InChIKey of (1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol?
The InChIKey is RXXDKOMIEVXLGF-HBNTYKKESA-N. The full InChI is InChI=1S/C11H21NO2/c1-14-10-6-4-5-9(13)11(10)12-7-2-3-8-12/h9-11,13H,2-8H2,1H3/t9-,10+,11+/m0/s1.
What are the key properties of (1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol?
(1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol is sourced from PubChem (CID 54291635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).