(4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one

C8H11NO3 — CID 46189443

IUPAC(4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H]([C@H]2CC=CCO2)CO1
InChIInChI=1S/C8H11NO3/c10-8-9-6(5-12-8)7-3-1-2-4-11-7/h1-2,6-7H,3-5H2,(H,9,10)/t6-,7-/m1/s1
InChIKeyPHOXUEDSWVIIBW-RNFRBKRXSA-N
MW169.18 g/mol
LogP0.44
Rot. Bonds1

About (4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one

(4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one (PubChem CID 46189443) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is (4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one
PubChem CID46189443
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name(4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H]([C@H]2CC=CCO2)CO1
InChIInChI=1S/C8H11NO3/c10-8-9-6(5-12-8)7-3-1-2-4-11-7/h1-2,6-7H,3-5H2,(H,9,10)/t6-,7-/m1/s1
InChIKeyPHOXUEDSWVIIBW-RNFRBKRXSA-N
XLogP0.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
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 (4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one (CID 46189443) is (4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one is O=C1N[C@@H]([C@H]2CC=CCO2)CO1.
What is the InChIKey of (4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is PHOXUEDSWVIIBW-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H11NO3/c10-8-9-6(5-12-8)7-3-1-2-4-11-7/h1-2,6-7H,3-5H2,(H,9,10)/t6-,7-/m1/s1.
What are the key properties of (4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one?
(4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 169.18 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-3,6-dihydro-2H-pyran-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46189443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).