(5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione

C20H27NO2 — CID 154707611

IUPAC(5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione
SMILESCC(C)(C)[C@@H]1CCC(=O)[C@@]2(CC1)CCN(c1ccccc1)C2=O
InChIInChI=1S/C20H27NO2/c1-19(2,3)15-9-10-17(22)20(12-11-15)13-14-21(18(20)23)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3/t15-,20-/m1/s1
InChIKeyHHIYJIZEBQAMJH-FOIQADDNSA-N
MW313.44 g/mol
LogP4.22
Rot. Bonds1

About (5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione

(5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione (PubChem CID 154707611) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione.

Molecular Properties

Compound Name(5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione
PubChem CID154707611
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione
SMILESCC(C)(C)[C@@H]1CCC(=O)[C@@]2(CC1)CCN(c1ccccc1)C2=O
InChIInChI=1S/C20H27NO2/c1-19(2,3)15-9-10-17(22)20(12-11-15)13-14-21(18(20)23)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3/t15-,20-/m1/s1
InChIKeyHHIYJIZEBQAMJH-FOIQADDNSA-N
XLogP4.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione?
The IUPAC name of (5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione (CID 154707611) is (5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione.
What is the SMILES notation for (5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione?
The canonical SMILES for (5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione is CC(C)(C)[C@@H]1CCC(=O)[C@@]2(CC1)CCN(c1ccccc1)C2=O.
What is the InChIKey of (5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione?
The InChIKey is HHIYJIZEBQAMJH-FOIQADDNSA-N. The full InChI is InChI=1S/C20H27NO2/c1-19(2,3)15-9-10-17(22)20(12-11-15)13-14-21(18(20)23)16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3/t15-,20-/m1/s1.
What are the key properties of (5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione?
(5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione has a molecular weight of 313.44 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-9-tert-butyl-2-phenyl-2-azaspiro[4.6]undecane-1,6-dione is sourced from PubChem (CID 154707611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).