(2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one

C13H15NO — CID 135031754

IUPAC(2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one
SMILESO=C1CCCC[C@]12N[C@H]2c1ccccc1
InChIInChI=1S/C13H15NO/c15-11-8-4-5-9-13(11)12(14-13)10-6-2-1-3-7-10/h1-3,6-7,12,14H,4-5,8-9H2/t12-,13-/m0/s1
InChIKeyVTQWBMAIOWTIKJ-STQMWFEESA-N
MW201.27 g/mol
LogP2.21
Rot. Bonds1

About (2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one

(2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one (PubChem CID 135031754) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one.

Molecular Properties

Compound Name(2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one
PubChem CID135031754
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one
SMILESO=C1CCCC[C@]12N[C@H]2c1ccccc1
InChIInChI=1S/C13H15NO/c15-11-8-4-5-9-13(11)12(14-13)10-6-2-1-3-7-10/h1-3,6-7,12,14H,4-5,8-9H2/t12-,13-/m0/s1
InChIKeyVTQWBMAIOWTIKJ-STQMWFEESA-N
XLogP2.21
TPSA39.01 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-phenylspiro[2.5]octan-8-one
CID 14952236
(6S,11S)-11-phenylspiro[5.5]undecan-5-one
CID 102210888
(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one
CID 125180932
(3S,5S)-3-phenyl-2-oxaspiro[4.5]decan-6-one
CID 102418246
2,3-diphenylcyclododecane-1,4-dione
CID 101032541
(6S)-5,5-dimethyl-6-phenylpiperidin-2-one
CID 138970238
2-phenylspiro[2.4]heptane-4,7-dione
CID 132603438
1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione
CID 10782866
(2S)-2-phenyl-1-oxaspiro[4.5]decan-4-one
CID 7070990
ethane;(3R)-3-phenyl-2-azaspiro[3.4]octane
CID 165136172
2,2-bis(phenylsulfanyl)cyclohexan-1-one
CID 15577924
6,6-dimethyl-1-phenyl-2-azaspiro[4.5]decan-3-one
CID 79852616

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one?
The IUPAC name of (2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one (CID 135031754) is (2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one.
What is the SMILES notation for (2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one?
The canonical SMILES for (2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one is O=C1CCCC[C@]12N[C@H]2c1ccccc1.
What is the InChIKey of (2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one?
The InChIKey is VTQWBMAIOWTIKJ-STQMWFEESA-N. The full InChI is InChI=1S/C13H15NO/c15-11-8-4-5-9-13(11)12(14-13)10-6-2-1-3-7-10/h1-3,6-7,12,14H,4-5,8-9H2/t12-,13-/m0/s1.
What are the key properties of (2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one?
(2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one has a molecular weight of 201.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-phenyl-1-azaspiro[2.5]octan-4-one is sourced from PubChem (CID 135031754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).