trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol

C10H17NO2 — CID 130671895

IUPACtrans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1NCC1=CCCOC1
InChIInChI=1S/C10H17NO2/c12-10-4-3-9(10)11-6-8-2-1-5-13-7-8/h2,9-12H,1,3-7H2/t9-,10-/m1/s1
InChIKeyUFKMPVNBWLSYPT-NXEZZACHSA-N
MW183.25 g/mol
LogP0.45
Rot. Bonds3

About trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol

trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol (PubChem CID 130671895) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol
PubChem CID130671895
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametrans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol
SMILESO[C@@H]1CC[C@H]1NCC1=CCCOC1
InChIInChI=1S/C10H17NO2/c12-10-4-3-9(10)11-6-8-2-1-5-13-7-8/h2,9-12H,1,3-7H2/t9-,10-/m1/s1
InChIKeyUFKMPVNBWLSYPT-NXEZZACHSA-N
XLogP0.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.45
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-5-ylmethylamino)cyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol (CID 130671895) is trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol is O[C@@H]1CC[C@H]1NCC1=CCCOC1.
What is the InChIKey of trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol?
The InChIKey is UFKMPVNBWLSYPT-NXEZZACHSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10-4-3-9(10)11-6-8-2-1-5-13-7-8/h2,9-12H,1,3-7H2/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol?
trans-(1R,2R)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclobutan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.45, 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-5-ylmethylamino)cyclobutan-1-ol is sourced from PubChem (CID 130671895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).