7,7-dimethyl-1-azaspiro[3.5]nonan-2-one

C10H17NO — CID 59718832

IUPAC7,7-dimethyl-1-azaspiro[3.5]nonan-2-one
SMILESCC1(C)CCC2(CC1)CC(=O)N2
InChIInChI=1S/C10H17NO/c1-9(2)3-5-10(6-4-9)7-8(12)11-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyXHOIFJUXEPKGHA-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.85
Rot. Bonds

About 7,7-dimethyl-1-azaspiro[3.5]nonan-2-one

7,7-dimethyl-1-azaspiro[3.5]nonan-2-one (PubChem CID 59718832) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 7,7-dimethyl-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name7,7-dimethyl-1-azaspiro[3.5]nonan-2-one
PubChem CID59718832
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name7,7-dimethyl-1-azaspiro[3.5]nonan-2-one
SMILESCC1(C)CCC2(CC1)CC(=O)N2
InChIInChI=1S/C10H17NO/c1-9(2)3-5-10(6-4-9)7-8(12)11-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyXHOIFJUXEPKGHA-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 7,7-dimethyl-1-azaspiro[3.5]nonan-2-one (CID 59718832) is 7,7-dimethyl-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 7,7-dimethyl-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 7,7-dimethyl-1-azaspiro[3.5]nonan-2-one is CC1(C)CCC2(CC1)CC(=O)N2.
What is the InChIKey of 7,7-dimethyl-1-azaspiro[3.5]nonan-2-one?
The InChIKey is XHOIFJUXEPKGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)3-5-10(6-4-9)7-8(12)11-10/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 7,7-dimethyl-1-azaspiro[3.5]nonan-2-one?
7,7-dimethyl-1-azaspiro[3.5]nonan-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 59718832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).