trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol

C9H17NO2 — CID 122235780

IUPACtrans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol
SMILESCOC1CN([C@@H]2CCC[C@H]2O)C1
InChIInChI=1S/C9H17NO2/c1-12-7-5-10(6-7)8-3-2-4-9(8)11/h7-9,11H,2-6H2,1H3/t8-,9-/m1/s1
InChIKeyWRULPIBAIWOILT-RKDXNWHRSA-N
MW171.24 g/mol
LogP0.23
Rot. Bonds2

About trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol

trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol (PubChem CID 122235780) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol
PubChem CID122235780
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nametrans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol
SMILESCOC1CN([C@@H]2CCC[C@H]2O)C1
InChIInChI=1S/C9H17NO2/c1-12-7-5-10(6-7)8-3-2-4-9(8)11/h7-9,11H,2-6H2,1H3/t8-,9-/m1/s1
InChIKeyWRULPIBAIWOILT-RKDXNWHRSA-N
XLogP0.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol (CID 122235780) is trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol is COC1CN([C@@H]2CCC[C@H]2O)C1.
What is the InChIKey of trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol?
The InChIKey is WRULPIBAIWOILT-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO2/c1-12-7-5-10(6-7)8-3-2-4-9(8)11/h7-9,11H,2-6H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol?
trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol has a molecular weight of 171.24 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methoxyazetidin-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 122235780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).