(7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one

C13H15NO2 — CID 10751244

IUPAC(7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one
SMILESO=C1N(Cc2ccccc2)C[C@H](O)C12CC2
InChIInChI=1S/C13H15NO2/c15-11-9-14(12(16)13(11)6-7-13)8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2/t11-/m0/s1
InChIKeySYAGKJHUEVOHQM-NSHDSACASA-N
MW217.27 g/mol
LogP1.17
Rot. Bonds2

About (7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one

(7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one (PubChem CID 10751244) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one.

Molecular Properties

Compound Name(7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one
PubChem CID10751244
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one
SMILESO=C1N(Cc2ccccc2)C[C@H](O)C12CC2
InChIInChI=1S/C13H15NO2/c15-11-9-14(12(16)13(11)6-7-13)8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2/t11-/m0/s1
InChIKeySYAGKJHUEVOHQM-NSHDSACASA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one?
The IUPAC name of (7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one (CID 10751244) is (7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one.
What is the SMILES notation for (7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one?
The canonical SMILES for (7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one is O=C1N(Cc2ccccc2)C[C@H](O)C12CC2.
What is the InChIKey of (7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one?
The InChIKey is SYAGKJHUEVOHQM-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO2/c15-11-9-14(12(16)13(11)6-7-13)8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2/t11-/m0/s1.
What are the key properties of (7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one?
(7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-benzyl-7-hydroxy-5-azaspiro[2.4]heptan-4-one is sourced from PubChem (CID 10751244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).