trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol

C11H21NO2 — CID 127006797

IUPACtrans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol
SMILESCOC1(C)CN([C@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C11H21NO2/c1-11(14-2)7-12(8-11)9-5-3-4-6-10(9)13/h9-10,13H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyPNFNGDOBWCBQGP-UWVGGRQHSA-N
MW199.29 g/mol
LogP1.01
Rot. Bonds2

About trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol (PubChem CID 127006797) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol
PubChem CID127006797
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametrans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol
SMILESCOC1(C)CN([C@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C11H21NO2/c1-11(14-2)7-12(8-11)9-5-3-4-6-10(9)13/h9-10,13H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyPNFNGDOBWCBQGP-UWVGGRQHSA-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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol (CID 127006797) is trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol is COC1(C)CN([C@H]2CCCC[C@@H]2O)C1.
What is the InChIKey of trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol?
The InChIKey is PNFNGDOBWCBQGP-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(14-2)7-12(8-11)9-5-3-4-6-10(9)13/h9-10,13H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-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 trans-(1S,2S)-2-(3-methoxy-3-methylazetidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 127006797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).