(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one

C13H15NO — CID 125180932

IUPAC(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one
SMILESO=C1N[C@H](c2ccccc2)C12CCCC2
InChIInChI=1S/C13H15NO/c15-12-13(8-4-5-9-13)11(14-12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)/t11-/m1/s1
InChIKeyIYKGEDZPDLIKKC-LLVKDONJSA-N
MW201.27 g/mol
LogP2.42
Rot. Bonds1

About (1R)-1-phenyl-2-azaspiro[3.4]octan-3-one

(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one (PubChem CID 125180932) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (1R)-1-phenyl-2-azaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one
PubChem CID125180932
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one
SMILESO=C1N[C@H](c2ccccc2)C12CCCC2
InChIInChI=1S/C13H15NO/c15-12-13(8-4-5-9-13)11(14-12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)/t11-/m1/s1
InChIKeyIYKGEDZPDLIKKC-LLVKDONJSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-phenyl-2-azaspiro[3.4]octan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-2-azaspiro[3.4]octan-3-one?
The IUPAC name of (1R)-1-phenyl-2-azaspiro[3.4]octan-3-one (CID 125180932) is (1R)-1-phenyl-2-azaspiro[3.4]octan-3-one.
What is the SMILES notation for (1R)-1-phenyl-2-azaspiro[3.4]octan-3-one?
The canonical SMILES for (1R)-1-phenyl-2-azaspiro[3.4]octan-3-one is O=C1N[C@H](c2ccccc2)C12CCCC2.
What is the InChIKey of (1R)-1-phenyl-2-azaspiro[3.4]octan-3-one?
The InChIKey is IYKGEDZPDLIKKC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15NO/c15-12-13(8-4-5-9-13)11(14-12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)/t11-/m1/s1.
What are the key properties of (1R)-1-phenyl-2-azaspiro[3.4]octan-3-one?
(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one has a molecular weight of 201.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-2-azaspiro[3.4]octan-3-one is sourced from PubChem (CID 125180932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).