(1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one

C13H15NO2 — CID 101180553

IUPAC(1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one
SMILESCN1C(=O)[C@@]2(CCCO2)[C@H]1c1ccccc1
InChIInChI=1S/C13H15NO2/c1-14-11(10-6-3-2-4-7-10)13(12(14)15)8-5-9-16-13/h2-4,6-7,11H,5,8-9H2,1H3/t11-,13-/m1/s1
InChIKeyJIEYFYDVYHSBAM-DGCLKSJQSA-N
MW217.27 g/mol
LogP1.75
Rot. Bonds1

About (1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one

(1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one (PubChem CID 101180553) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name(1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one
PubChem CID101180553
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one
SMILESCN1C(=O)[C@@]2(CCCO2)[C@H]1c1ccccc1
InChIInChI=1S/C13H15NO2/c1-14-11(10-6-3-2-4-7-10)13(12(14)15)8-5-9-16-13/h2-4,6-7,11H,5,8-9H2,1H3/t11-,13-/m1/s1
InChIKeyJIEYFYDVYHSBAM-DGCLKSJQSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one?
The IUPAC name of (1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one (CID 101180553) is (1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one.
What is the SMILES notation for (1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one?
The canonical SMILES for (1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one is CN1C(=O)[C@@]2(CCCO2)[C@H]1c1ccccc1.
What is the InChIKey of (1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one?
The InChIKey is JIEYFYDVYHSBAM-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H15NO2/c1-14-11(10-6-3-2-4-7-10)13(12(14)15)8-5-9-16-13/h2-4,6-7,11H,5,8-9H2,1H3/t11-,13-/m1/s1.
What are the key properties of (1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one?
(1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one is sourced from PubChem (CID 101180553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).