(5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one

C11H17NO2 — CID 58668344

IUPAC(5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one
SMILESC[C@@H]1[C@H](C)[C@](C)(O)C=CC12CC(=O)N2
InChIInChI=1S/C11H17NO2/c1-7-8(2)11(6-9(13)12-11)5-4-10(7,3)14/h4-5,7-8,14H,6H2,1-3H3,(H,12,13)/t7-,8+,10+,11?/m0/s1
InChIKeyHRGPTRNOEWRYJA-MTKZOQNTSA-N
MW195.26 g/mol
LogP0.84
Rot. Bonds

About (5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one

(5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one (PubChem CID 58668344) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one.

Molecular Properties

Compound Name(5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one
PubChem CID58668344
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one
SMILESC[C@@H]1[C@H](C)[C@](C)(O)C=CC12CC(=O)N2
InChIInChI=1S/C11H17NO2/c1-7-8(2)11(6-9(13)12-11)5-4-10(7,3)14/h4-5,7-8,14H,6H2,1-3H3,(H,12,13)/t7-,8+,10+,11?/m0/s1
InChIKeyHRGPTRNOEWRYJA-MTKZOQNTSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one?
The IUPAC name of (5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one (CID 58668344) is (5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one.
What is the SMILES notation for (5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one?
The canonical SMILES for (5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one is C[C@@H]1[C@H](C)[C@](C)(O)C=CC12CC(=O)N2.
What is the InChIKey of (5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one?
The InChIKey is HRGPTRNOEWRYJA-MTKZOQNTSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-8(2)11(6-9(13)12-11)5-4-10(7,3)14/h4-5,7-8,14H,6H2,1-3H3,(H,12,13)/t7-,8+,10+,11?/m0/s1.
What are the key properties of (5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one?
(5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one has a molecular weight of 195.26 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7R)-7-hydroxy-5,6,7-trimethyl-1-azaspiro[3.5]non-8-en-2-one is sourced from PubChem (CID 58668344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).