5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one

C17H23NO4 — CID 163316196

IUPAC5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCC[C@]2(CCC[C@H]2O)C1
InChIInChI=1S/C17H23NO4/c1-11-9-14(20)22-12(2)15(11)16(21)18-8-4-7-17(10-18)6-3-5-13(17)19/h9,13,19H,3-8,10H2,1-2H3/t13-,17-/m1/s1
InChIKeyASAULGBZOUHKIQ-CXAGYDPISA-N
MW305.37 g/mol
LogP2.02
Rot. Bonds1

About 5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one

5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one (PubChem CID 163316196) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one.

Molecular Properties

Compound Name5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one
PubChem CID163316196
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCC[C@]2(CCC[C@H]2O)C1
InChIInChI=1S/C17H23NO4/c1-11-9-14(20)22-12(2)15(11)16(21)18-8-4-7-17(10-18)6-3-5-13(17)19/h9,13,19H,3-8,10H2,1-2H3/t13-,17-/m1/s1
InChIKeyASAULGBZOUHKIQ-CXAGYDPISA-N
XLogP2.02
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one?
The IUPAC name of 5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one (CID 163316196) is 5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one.
What is the SMILES notation for 5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one?
The canonical SMILES for 5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one is Cc1cc(=O)oc(C)c1C(=O)N1CCC[C@]2(CCC[C@H]2O)C1.
What is the InChIKey of 5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one?
The InChIKey is ASAULGBZOUHKIQ-CXAGYDPISA-N. The full InChI is InChI=1S/C17H23NO4/c1-11-9-14(20)22-12(2)15(11)16(21)18-8-4-7-17(10-18)6-3-5-13(17)19/h9,13,19H,3-8,10H2,1-2H3/t13-,17-/m1/s1.
What are the key properties of 5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one?
5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one has a molecular weight of 305.37 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one is sourced from PubChem (CID 163316196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).