trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol

C11H19NO2 — CID 122237068

IUPACtrans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1NCC1=CCOCC1
InChIInChI=1S/C11H19NO2/c13-11-3-1-2-10(11)12-8-9-4-6-14-7-5-9/h4,10-13H,1-3,5-8H2/t10-,11-/m1/s1
InChIKeyBSYPPRBNRBYLTD-GHMZBOCLSA-N
MW197.28 g/mol
LogP0.84
Rot. Bonds3

About trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol

trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol (PubChem CID 122237068) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol
PubChem CID122237068
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametrans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1NCC1=CCOCC1
InChIInChI=1S/C11H19NO2/c13-11-3-1-2-10(11)12-8-9-4-6-14-7-5-9/h4,10-13H,1-3,5-8H2/t10-,11-/m1/s1
InChIKeyBSYPPRBNRBYLTD-GHMZBOCLSA-N
XLogP0.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol (CID 122237068) is trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol is O[C@@H]1CCC[C@H]1NCC1=CCOCC1.
What is the InChIKey of trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol?
The InChIKey is BSYPPRBNRBYLTD-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11-3-1-2-10(11)12-8-9-4-6-14-7-5-9/h4,10-13H,1-3,5-8H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol?
trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-4-ylmethylamino)cyclopentan-1-ol is sourced from PubChem (CID 122237068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).