5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one

C13H23NO2 — CID 59843839

IUPAC5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one
SMILESCC1C(C)C2(CC(=O)N2)C(O)C(C)C1(C)C
InChIInChI=1S/C13H23NO2/c1-7-8(2)13(6-10(15)14-13)11(16)9(3)12(7,4)5/h7-9,11,16H,6H2,1-5H3,(H,14,15)
InChIKeyTUWVJVWTGRRQIV-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.55
Rot. Bonds

About 5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one

5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one (PubChem CID 59843839) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one
PubChem CID59843839
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one
SMILESCC1C(C)C2(CC(=O)N2)C(O)C(C)C1(C)C
InChIInChI=1S/C13H23NO2/c1-7-8(2)13(6-10(15)14-13)11(16)9(3)12(7,4)5/h7-9,11,16H,6H2,1-5H3,(H,14,15)
InChIKeyTUWVJVWTGRRQIV-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one (CID 59843839) is 5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one is CC1C(C)C2(CC(=O)N2)C(O)C(C)C1(C)C.
What is the InChIKey of 5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one?
The InChIKey is TUWVJVWTGRRQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-7-8(2)13(6-10(15)14-13)11(16)9(3)12(7,4)5/h7-9,11,16H,6H2,1-5H3,(H,14,15).
What are the key properties of 5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one?
5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one has a molecular weight of 225.33 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6,7,7,8,9-pentamethyl-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 59843839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).