cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol

C11H19NO2 — CID 130610162

IUPACcis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CC[C@H](NCC2=CCCOC2)C1
InChIInChI=1S/C11H19NO2/c13-11-4-3-10(6-11)12-7-9-2-1-5-14-8-9/h2,10-13H,1,3-8H2/t10-,11+/m0/s1
InChIKeyMZVJGYJBDRVRFI-WDEREUQCSA-N
MW197.28 g/mol
LogP0.84
Rot. Bonds3

About cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol

cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol (PubChem CID 130610162) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol
PubChem CID130610162
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namecis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol
SMILESO[C@@H]1CC[C@H](NCC2=CCCOC2)C1
InChIInChI=1S/C11H19NO2/c13-11-4-3-10(6-11)12-7-9-2-1-5-14-8-9/h2,10-13H,1,3-8H2/t10-,11+/m0/s1
InChIKeyMZVJGYJBDRVRFI-WDEREUQCSA-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 cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol?
The IUPAC name of cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol (CID 130610162) is cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol is O[C@@H]1CC[C@H](NCC2=CCCOC2)C1.
What is the InChIKey of cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol?
The InChIKey is MZVJGYJBDRVRFI-WDEREUQCSA-N. The full InChI is InChI=1S/C11H19NO2/c13-11-4-3-10(6-11)12-7-9-2-1-5-14-8-9/h2,10-13H,1,3-8H2/t10-,11+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol?
cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-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 cis-(1R,3S)-3-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentan-1-ol is sourced from PubChem (CID 130610162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).